Mark S.P. Sansom - Publications

Biochemistry University of Oxford, Oxford, United Kingdom 

206 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Calvelo M, Lynch CI, Granja JR, Sansom MSP, Garcia-Fandiño R. Effect of Water Models on Transmembrane Self-Assembled Cyclic Peptide Nanotubes. Acs Nano. PMID 33739081 DOI: 10.1021/acsnano.1c00155  0.4
2021 Rao S, Klesse G, Lynch CI, Tucker SJ, Sansom MSP. Molecular Simulations of Hydrophobic Gating of Pentameric Ligand Gated Ion Channels: Insights into Water and Ions. The Journal of Physical Chemistry. B. PMID 33439645 DOI: 10.1021/acs.jpcb.0c09285  0.72
2021 Simcock PW, Bublitz M, Cipcigan F, Ryadnov MG, Crain J, Stansfeld PJ, Sansom MSP. Membrane Binding of Antimicrobial Peptides Is Modulated by Lipid Charge Modification. Journal of Chemical Theory and Computation. PMID 33395285 DOI: 10.1021/acs.jctc.0c01025  0.44
2020 Flegler VJ, Rasmussen A, Rao S, Wu N, Zenobi R, Sansom MSP, Hedrich R, Rasmussen T, Böttcher B. The MscS-like channel YnaI has a gating mechanism based on flexible pore helices. Proceedings of the National Academy of Sciences of the United States of America. PMID 33148804 DOI: 10.1073/pnas.2005641117  0.68
2020 Lynch CI, Rao S, Sansom MSP. Water in Nanopores and Biological Channels: A Molecular Simulation Perspective. Chemical Reviews. PMID 32841020 DOI: 10.1021/acs.chemrev.9b00830  0.68
2020 Kumar A, Basak S, Rao S, Gicheru Y, Mayer ML, Sansom MSP, Chakrapani S. Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nature Communications. 11: 3752. PMID 32719334 DOI: 10.1038/s41467-020-17364-5  0.68
2020 Klesse G, Tucker SJ, Sansom MSP. Electric Field Induced Wetting of a Hydrophobic Gate in a Model Nanopore Based on the 5-HT Receptor Channel. Acs Nano. PMID 32673478 DOI: 10.1021/acsnano.0c04387  0.72
2020 Domański J, Sansom MSP, Stansfeld PJ, Best RB. Atomistic mechanism of transmembrane helix association. Plos Computational Biology. 16: e1007919. PMID 32497094 DOI: 10.1371/journal.pcbi.1007919  0.44
2020 Klesse G, Rao S, Tucker SJ, Sansom MSP. Induced Polarization in MD Simulations of the 5HT3 Receptor Channel. Journal of the American Chemical Society. PMID 32336093 DOI: 10.1021/jacs.0c02394  0.72
2020 Yamamoto E, Domański J, Naughton FB, Best RB, Kalli AC, Stansfeld PJ, Sansom MSP. Multiple lipid binding sites determine the affinity of PH domains for phosphoinositide-containing membranes. Science Advances. 6: eaay5736. PMID 32128410 DOI: 10.1126/sciadv.aay5736  0.44
2019 Corey RA, Stansfeld PJ, Sansom MSP. The energetics of protein-lipid interactions as viewed by molecular simulations. Biochemical Society Transactions. PMID 31872229 DOI: 10.1042/BST20190149  0.44
2019 Wang Q, Corey RA, Hedger G, Aryal P, Grieben M, Nasrallah C, Baronina A, Pike ACW, Shi J, Carpenter EP, Sansom MSP. Lipid Interactions of a Ciliary Membrane TRP Channel: Simulation and Structural Studies of Polycystin-2. Structure (London, England : 1993). PMID 31806353 DOI: 10.1016/j.str.2019.11.005  0.72
2019 Corey RA, Vickery ON, Sansom MSP, Stansfeld PJ. Insights into Membrane Protein-Lipid Interactions from Free Energy Calculations. Journal of Chemical Theory and Computation. PMID 31476127 DOI: 10.1021/acs.jctc.9b00548  0.44
2019 Rao S, Klesse G, Stansfeld PJ, Tucker SJ, Sansom MSP. A heuristic derived from analysis of the ion channel structural proteome permits the rapid identification of hydrophobic gates. Proceedings of the National Academy of Sciences of the United States of America. PMID 31235590 DOI: 10.1073/pnas.1902702116  0.72
2019 Klesse G, Rao S, Sansom MSP, Tucker SJ. CHAP: A Versatile Tool for the Structural and Functional Annotation of Ion Channel Pores. Journal of Molecular Biology. PMID 31220459 DOI: 10.1016/j.jmb.2019.06.003  0.72
2019 Caffalette CA, Corey RA, Sansom MSP, Stansfeld PJ, Zimmer J. A lipid gating mechanism for the channel-forming O antigen ABC transporter. Nature Communications. 10: 824. PMID 30778065 DOI: 10.1038/s41467-019-08646-8  0.44
2019 Marrink SJ, Corradi V, Souza PCT, Ingólfsson HI, Tieleman DP, Sansom MSP. Computational Modeling of Realistic Cell Membranes. Chemical Reviews. PMID 30623647 DOI: 10.1021/acs.chemrev.8b00460  0.52
2018 Newport TD, Sansom MSP, Stansfeld PJ. The MemProtMD database: a resource for membrane-embedded protein structures and their lipid interactions. Nucleic Acids Research. PMID 30418645 DOI: 10.1093/nar/gky1047  0.44
2018 Basak S, Gicheru Y, Rao S, Sansom MSP, Chakrapani S. Cryo-EM reveals two distinct serotonin-bound conformations of full-length 5-HT receptor. Nature. 563: 270-274. PMID 30401837 DOI: 10.1038/s41586-018-0660-7  0.68
2018 Haynes T, Smith IPS, Wallace EJ, Trick JL, Sansom MSP, Khalid S. Electric-Field Driven Translocation of ssDNA Through Hydrophobic Nanopores. Acs Nano. PMID 29985578 DOI: 10.1021/acsnano.8b03365  0.6
2018 Rao S, Lynch CI, Klesse G, Oakley GE, Stansfeld PJ, Tucker SJ, Sansom MSP. Water and hydrophobic gates in ion channels and nanopores. Faraday Discussions. PMID 29969132 DOI: 10.1039/c8fd00013a  0.72
2018 Autzen H, Koldsø H, Stansfeld PJ, Gourdon P, Sansom MSP, Nissen P. Interactions of a Bacterial Cu(I)-ATPase with a Complex Lipid Environment. Biochemistry. PMID 29894640 DOI: 10.1021/acs.biochem.8b00326  0.44
2018 Chavent M, Karia D, Kalli AC, Domański J, Duncan AL, Hedger G, Stansfeld PJ, Seiradake E, Jones EY, Sansom MSP. Interactions of the EphA2 Kinase Domain with PIPs in Membranes: Implications for Receptor Function. Structure (London, England : 1993). PMID 29887500 DOI: 10.1016/j.str.2018.05.003  0.44
2018 Domański J, Sansom MSP, Stansfeld PJ, Best RB. Balancing Force Field Protein-Lipid Interactions To Capture Transmembrane Helix-Helix Association. Journal of Chemical Theory and Computation. PMID 29424543 DOI: 10.1021/acs.jctc.7b00983  0.44
2017 Duncan AL, Reddy T, Koldsø H, Hélie J, Fowler PW, Chavent M, Sansom MSP. Protein crowding and lipid complexity influence the nanoscale dynamic organization of ion channels in cell membranes. Scientific Reports. 7: 16647. PMID 29192147 DOI: 10.1038/s41598-017-16865-6  0.44
2017 Clausen MV, Jarerattanachat V, Carpenter EP, Sansom MSP, Tucker SJ. Asymmetric mechanosensitivity in a eukaryotic ion channel. Proceedings of the National Academy of Sciences of the United States of America. PMID 28923939 DOI: 10.1073/pnas.1708990114  0.72
2017 Nematian-Ardestani E, Jarerattanachat V, Aryal P, Sansom MSP, Tucker SJ. The Effects of Stretch Activation on Ionic Selectivity of the TREK-2 K2P K(+) Channel. Channels (Austin, Tex.). 0. PMID 28723241 DOI: 10.1080/19336950.2017.1356955  0.72
2017 Lacin E, Aryal P, Glaaser IW, Bodhinathan K, Tsai E, Marsh N, Tucker SJ, Sansom MSP, Slesinger PA. Dynamic role of the tether helix in PIP2-dependent gating of a G protein-gated potassium channel. The Journal of General Physiology. PMID 28720589 DOI: 10.1085/jgp.201711801  0.72
2017 Aryal P, Jarerattanachat V, Clausen MV, Schewe M, McClenaghan C, Argent L, Conrad LJ, Dong YY, Pike AC, Carpenter EP, Baukrowitz T, Sansom MS, Tucker SJ. Bilayer-Mediated Structural Transitions Control Mechanosensitivity of the TREK-2 K2P Channel. Structure (London, England : 1993). PMID 28392258 DOI: 10.1016/j.str.2017.03.006  0.72
2017 Rao S, Klesse G, Stansfeld PJ, Tucker SJ, Sansom MS. A BEST Example of Channel Structure Annotation by Molecular Simulation. Channels (Austin, Tex.). 0. PMID 28319451 DOI: 10.1080/19336950.2017.1306163  0.72
2017 Trick JL, Song C, Wallace EJ, Sansom MS. Voltage Gating of a Biomimetic Nanopore: Electrowetting of a Hydrophobic Barrier. Acs Nano. PMID 28141923 DOI: 10.1021/acsnano.6b07865  0.6
2017 Fowler PW, Sansom MS, Reithmeier RA. Effect of the Southeast Asian Ovalocytosis Deletion on the Conformational Dynamics of the Signal-Anchor Transmembrane Segment 1 of the Red Cell Anion Exchanger 1 (AE1, Band 3, SLC4A1). Biochemistry. PMID 28068080 DOI: 10.1021/acs.biochem.6b00966  0.44
2017 Domański J, Hedger G, Best RB, Stansfeld PJ, Sansom MSP. Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association. The Journal of Physical Chemistry. B. 121: 3364-3375. PMID 27807980 DOI: 10.1021/acs.jpcb.6b08445  0.44
2016 Trick JL, Chelvaniththilan S, Klesse G, Aryal P, Wallace EJ, Tucker SJ, Sansom MS. Functional Annotation of Ion Channel Structures by Molecular Simulation. Structure (London, England : 1993). PMID 27866853 DOI: 10.1016/j.str.2016.10.005  0.72
2016 Fowler PW, Hélie J, Duncan A, Chavent M, Koldsø H, Sansom MS. Membrane stiffness is modified by integral membrane proteins. Soft Matter. 12: 7792-7803. PMID 27722554 DOI: 10.1039/c6sm01186a  0.44
2016 Fowler PW, Williamson JJ, Sansom MS, Olmsted PD. Roles of Interleaflet Coupling and Hydrophobic Mismatch in Lipid Membrane Phase-Separation Kinetics. Journal of the American Chemical Society. PMID 27574865 DOI: 10.1021/jacs.6b04880  0.92
2016 Koldsø H, Reddy T, Fowler PW, Duncan AL, Sansom MS. Membrane Compartmentalization Reduces the Mobility of Lipids and Proteins within a Model Plasma Membrane. The Journal of Physical Chemistry. B. PMID 27483109 DOI: 10.1021/acs.jpcb.6b05846  0.44
2016 Kalli AC, Rog T, Vattulainen I, Campbell ID, Sansom MS. The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations. The Journal of Membrane Biology. PMID 27465729 DOI: 10.1007/s00232-016-9908-z  0.92
2016 Byrne EF, Sircar R, Miller PS, Hedger G, Luchetti G, Nachtergaele S, Tully MD, Mydock-McGrane L, Covey DF, Rambo RP, Sansom MS, Newstead S, Rohatgi R, Siebold C. Structural basis of Smoothened regulation by its extracellular domains. Nature. PMID 27437577 DOI: 10.1038/nature18934  0.92
2016 Jackson VA, Mehmood S, Chavent M, Roversi P, Carrasquero M, Del Toro D, Seyit-Bremer G, Ranaivoson FM, Comoletti D, Sansom MS, Robinson CV, Klein R, Seiradake E. Super-complexes of adhesion GPCRs and neural guidance receptors. Nature Communications. 7: 11184. PMID 27091502 DOI: 10.1038/ncomms11184  0.92
2016 Reithmeier RA, Casey JR, Kalli A, Sansom MS, Alguel Y, Iwata S. Band 3, the human red cell chloride/bicarbonate anion exchanger (AE1, SLC4A1), in a structural context. Biochimica Et Biophysica Acta. PMID 27058983 DOI: 10.1016/j.bbamem.2016.03.030  0.92
2016 Samsudin F, Parker JL, Sansom MS, Newstead S, Fowler PW. Accurate Prediction of Ligand Affinities for a Proton-Dependent Oligopeptide Transporter. Cell Chemical Biology. 23: 299-309. PMID 27028887 DOI: 10.1016/j.chembiol.2015.11.015  0.44
2016 Garcia-Fandiño R, Piñeiro Á, Trick JL, Sansom MS. Lipid Bilayer Membrane Perturbation by Embedded Nanopores: A Simulation Study. Acs Nano. 10: 3693-701. PMID 26943498 DOI: 10.1021/acsnano.6b00202  0.6
2016 Yamamoto E, Kalli AC, Yasuoka K, Sansom MSP. Interactions of Pleckstrin Homology Domains with Membranes: Adding Back the Bilayer via High-Throughput Molecular Dynamics Structure. 24: 1421-1431. DOI: 10.1016/j.str.2016.06.002  0.92
2015 Li D, Stansfeld PJ, Sansom MS, Keogh A, Vogeley L, Howe N, Lyons JA, Aragao D, Fromme P, Fromme R, Basu S, Grotjohann I, Kupitz C, Rendek K, Weierstall U, et al. Ternary structure reveals mechanism of a membrane diacylglycerol kinase. Nature Communications. 6: 10140. PMID 26673816 DOI: 10.1038/ncomms10140  0.44
2015 Sharma S, Kim BN, Stansfeld PJ, Sansom MS, Lindau M. A Coarse Grained Model for a Lipid Membrane with Physiological Composition and Leaflet Asymmetry. Plos One. 10: e0144814. PMID 26659855 DOI: 10.1371/journal.pone.0144814  0.44
2015 Beale JH, Parker JL, Samsudin F, Barrett AL, Senan A, Bird LE, Scott D, Owens RJ, Sansom MS, Tucker SJ, Meredith D, Fowler PW, Newstead S. Crystal Structures of the Extracellular Domain from PepT1 and PepT2 Provide Novel Insights into Mammalian Peptide Transport. Structure (London, England : 1993). 23: 1889-99. PMID 26320580 DOI: 10.1016/j.str.2015.07.016  0.72
2015 Hanson SM, Sansom MS, Becker EB. Modeling Suggests TRPC3 Hydrogen Bonding and Not Phosphorylation Contributes to the Ataxia Phenotype of the Moonwalker Mouse. Biochemistry. 54: 4033-41. PMID 26112884 DOI: 10.1021/acs.biochem.5b00235  0.92
2015 Jefferys E, Sands ZA, Shi J, Sansom MS, Fowler PW. Alchembed: A Computational Method for Incorporating Multiple Proteins into Complex Lipid Geometries. Journal of Chemical Theory and Computation. 11: 2743-2754. PMID 26089745 DOI: 10.1021/ct501111d  0.92
2015 Stansfeld PJ, Goose JE, Caffrey M, Carpenter EP, Parker JL, Newstead S, Sansom MS. MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes. Structure (London, England : 1993). 23: 1350-61. PMID 26073602 DOI: 10.1016/j.str.2015.05.006  0.92
2015 Rassam P, Copeland NA, Birkholz O, Tóth C, Chavent M, Duncan AL, Cross SJ, Housden NG, Kaminska R, Seger U, Quinn DM, Garrod TJ, Sansom MS, Piehler J, Baumann CG, et al. Supramolecular assemblies underpin turnover of outer membrane proteins in bacteria. Nature. 523: 333-6. PMID 26061769 DOI: 10.1038/nature14461  0.92
2015 Trick JL, Aryal P, Tucker SJ, Sansom MS. Molecular simulation studies of hydrophobic gating in nanopores and ion channels. Biochemical Society Transactions. 43: 146-50. PMID 25849908 DOI: 10.1042/BST20140256  0.92
2015 Hanson SM, Newstead S, Swartz KJ, Sansom MS. Capsaicin interaction with TRPV1 channels in a lipid bilayer: molecular dynamics simulation. Biophysical Journal. 108: 1425-34. PMID 25809255 DOI: 10.1016/j.bpj.2015.02.013  0.92
2015 Dong YY, Pike AC, Mackenzie A, McClenaghan C, Aryal P, Dong L, Quigley A, Grieben M, Goubin S, Mukhopadhyay S, Ruda GF, Clausen MV, Cao L, Brennan PE, Burgess-Brown NA, ... Sansom MS, et al. K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science (New York, N.Y.). 347: 1256-9. PMID 25766236 DOI: 10.1126/science.1261512  0.92
2015 Kalli AC, Sansom MS, Reithmeier RA. Molecular dynamics simulations of the bacterial UraA H+-uracil symporter in lipid bilayers reveal a closed state and a selective interaction with cardiolipin. Plos Computational Biology. 11: e1004123. PMID 25729859 DOI: 10.1371/journal.pcbi.1004123  0.92
2015 Reddy T, Shorthouse D, Parton DL, Jefferys E, Fowler PW, Chavent M, Baaden M, Sansom MS. Nothing to sneeze at: a dynamic and integrative computational model of an influenza A virion. Structure (London, England : 1993). 23: 584-97. PMID 25703376 DOI: 10.1016/j.str.2014.12.019  0.92
2015 Laurent B, Chavent M, Cragnolini T, Dahl AC, Pasquali S, Derreumaux P, Sansom MS, Baaden M. Epock: rapid analysis of protein pocket dynamics. Bioinformatics (Oxford, England). 31: 1478-80. PMID 25505095 DOI: 10.1093/bioinformatics/btu822  0.92
2015 Aryal P, Abd-Wahab F, Bucci G, Sansom MS, Tucker SJ. Influence of lipids on the hydrophobic barrier within the pore of the TWIK-1 K2P channel. Channels (Austin, Tex.). 9: 44-9. PMID 25487004 DOI: 10.4161/19336950.2014.981987  0.92
2015 Aryal P, Sansom MS, Tucker SJ. Hydrophobic gating in ion channels. Journal of Molecular Biology. 427: 121-30. PMID 25106689 DOI: 10.1016/j.jmb.2014.07.030  0.92
2015 Yamamoto E, Kalli AC, Akimoto T, Yasuoka K, Sansom MSP. Anomalous Dynamics of a Lipid Recognition Protein on a Membrane Surface Scientific Reports. 5. DOI: 10.1038/srep18245  0.92
2015 Beale JH, Parker JL, Samsudin F, Barrett AL, Senan A, Bird LE, Scott D, Owens RJ, Sansom MSP, Tucker SJ, Meredith D, Fowler PW, Newstead S. Crystal Structures of the Extracellular Domain from PepT1 and PepT2 Provide Novel Insights into Mammalian Peptide Transport Structure. DOI: 10.1016/j.str.2015.07.016  0.92
2014 Lee C, Yashiro S, Dotson DL, Uzdavinys P, Iwata S, Sansom MS, von Ballmoos C, Beckstein O, Drew D, Cameron AD. Crystal structure of the sodium-proton antiporter NhaA dimer and new mechanistic insights. The Journal of General Physiology. 144: 529-44. PMID 25422503 DOI: 10.1085/jgp.201411219  0.92
2014 Chavent M, Reddy T, Goose J, Dahl AC, Stone JE, Jobard B, Sansom MS. Methodologies for the analysis of instantaneous lipid diffusion in MD simulations of large membrane systems. Faraday Discussions. 169: 455-75. PMID 25341001 DOI: 10.1039/c3fd00145h  0.92
2014 Jefferys E, Sansom MS, Fowler PW. NRas slows the rate at which a model lipid bilayer phase separates. Faraday Discussions. 169: 209-23. PMID 25340566 DOI: 10.1039/c3fd00131h  0.92
2014 Trick JL, Wallace EJ, Bayley H, Sansom MS. Designing a hydrophobic barrier within biomimetic nanopores. Acs Nano. 8: 11268-79. PMID 25317664 DOI: 10.1021/nn503930p  0.92
2014 Chavent M, Chetwynd AP, Stansfeld PJ, Sansom MS. Dimerization of the EphA1 receptor tyrosine kinase transmembrane domain: Insights into the mechanism of receptor activation. Biochemistry. 53: 6641-52. PMID 25286141 DOI: 10.1021/bi500800x  0.44
2014 Kalli AC, Sansom MSP. Interactions of peripheral proteins with model membranes as viewed by molecular dynamics simulations Biochemical Society Transactions. 42: 1418-1424. PMID 25233425 DOI: 10.1042/BST20140144  0.92
2014 Tan J, Rouse SL, Li D, Pye VE, Vogeley L, Brinth AR, El Arnaout T, Whitney JC, Howell PL, Sansom MS, Caffrey M. A conformational landscape for alginate secretion across the outer membrane of Pseudomonas aeruginosa. Acta Crystallographica. Section D, Biological Crystallography. 70: 2054-68. PMID 25084326 DOI: 10.1107/S1399004714001850  0.92
2014 Aryal P, Abd-Wahab F, Bucci G, Sansom MS, Tucker SJ. A hydrophobic barrier deep within the inner pore of the TWIK-1 K2P potassium channel. Nature Communications. 5: 4377. PMID 25001086 DOI: 10.1038/ncomms5377  0.92
2014 Bollepalli MK, Fowler PW, Rapedius M, Shang L, Sansom MS, Tucker SJ, Baukrowitz T. State-dependent network connectivity determines gating in a K+ channel. Structure (London, England : 1993). 22: 1037-46. PMID 24980796 DOI: 10.1016/j.str.2014.04.018  0.92
2014 Simmons KJ, Jackson SM, Brueckner F, Patching SG, Beckstein O, Ivanova E, Geng T, Weyand S, Drew D, Lanigan J, Sharples DJ, Sansom MS, Iwata S, Fishwick CW, Johnson AP, et al. Molecular mechanism of ligand recognition by membrane transport protein, Mhp1. The Embo Journal. 33: 1831-44. PMID 24952894 DOI: 10.15252/embj.201387557  0.92
2014 Kalli AC, Devaney I, Sansom MSP. Interactions of phosphatase and tensin homologue (PTEN) proteins with phosphatidylinositol phosphates: Insights from molecular dynamics simulations of PTEN and voltage sensitive phosphatase Biochemistry. 53: 1724-1732. PMID 24588644 DOI: 10.1021/bi5000299  0.92
2014 Stelzl LS, Fowler PW, Sansom MS, Beckstein O. Flexible gates generate occluded intermediates in the transport cycle of LacY. Journal of Molecular Biology. 426: 735-51. PMID 24513108 DOI: 10.1016/j.jmb.2013.10.024  0.92
2014 Dunton TA, Goose JE, Gavaghan DJ, Sansom MS, Osborne JM. The free energy landscape of dimerization of a membrane protein, NanC. Plos Computational Biology. 10: e1003417. PMID 24415929 DOI: 10.1371/journal.pcbi.1003417  0.92
2014 Reddy T, Manrique S, Buyan A, Hall BA, Chetwynd A, Sansom MSP. Primary and secondary dimer interfaces of the fibroblast growth factor receptor 3 transmembrane domain: Characterization via multiscale molecular dynamics simulations Biochemistry. 53: 323-332. PMID 24397339 DOI: 10.1021/bi401576k  0.92
2014 Zubcevic L, Bavro VN, Muniz JR, Schmidt MR, Wang S, De Zorzi R, Venien-Bryan C, Sansom MS, Nichols CG, Tucker SJ. Control of KirBac3.1 potassium channel gating at the interface between cytoplasmic domains. The Journal of Biological Chemistry. 289: 143-51. PMID 24257749 DOI: 10.1074/jbc.M113.501833  0.92
2013 Fowler PW, Abad E, Beckstein O, Sansom MS. Energetics of Multi-Ion Conduction Pathways in Potassium Ion Channels. Journal of Chemical Theory and Computation. 9: 5176-5189. PMID 24353479 DOI: 10.1021/ct4005933  0.92
2013 Kalli AC, Campbell ID, Sansom MSP. Conformational Changes in Talin on Binding to Anionic Phospholipid Membranes Facilitate Signaling by Integrin Transmembrane Helices Plos Computational Biology. 9. PMID 24204243 DOI: 10.1371/journal.pcbi.1003316  0.92
2013 Fowler PW, Beckstein O, Abad E, Sansom MS. Detailed Examination of a Single Conduction Event in a Potassium Channel. The Journal of Physical Chemistry Letters. 4: 3104-3109. PMID 24143269 DOI: 10.1021/jz4014079  0.92
2013 Kalli AC, Morgan G, Sansom MSP. Interactions of the auxilin-1 PTEN-like domain with model membranes result in nanoclustering of phosphatidyl inositol phosphates Biophysical Journal. 105: 137-145. PMID 23823232 DOI: 10.1016/j.bpj.2013.05.012  0.92
2013 Marzian S, Stansfeld PJ, Rapedius M, Rinné S, Nematian-Ardestani E, Abbruzzese JL, Steinmeyer K, Sansom MS, Sanguinetti MC, Baukrowitz T, Decher N. Side pockets provide the basis for a new mechanism of Kv channel-specific inhibition. Nature Chemical Biology. 9: 507-13. PMID 23728494 DOI: 10.1038/nchembio.1271  0.92
2013 Shintre CA, Pike AC, Li Q, Kim JI, Barr AJ, Goubin S, Shrestha L, Yang J, Berridge G, Ross J, Stansfeld PJ, Sansom MS, Edwards AM, Bountra C, Marsden BD, et al. Structures of ABCB10, a human ATP-binding cassette transporter in apo- and nucleotide-bound states. Proceedings of the National Academy of Sciences of the United States of America. 110: 9710-5. PMID 23716676 DOI: 10.1073/pnas.1217042110  0.64
2013 Fowler PW, Sansom MS. The pore of voltage-gated potassium ion channels is strained when closed. Nature Communications. 4: 1872. PMID 23695666 DOI: 10.1038/ncomms2858  0.92
2013 Stansfeld PJ, Jefferys EE, Sansom MS. Multiscale simulations reveal conserved patterns of lipid interactions with aquaporins. Structure (London, England : 1993). 21: 810-9. PMID 23602661 DOI: 10.1016/j.str.2013.03.005  0.44
2013 Goose JE, Sansom MS. Reduced lateral mobility of lipids and proteins in crowded membranes. Plos Computational Biology. 9: e1003033. PMID 23592975 DOI: 10.1371/journal.pcbi.1003033  0.92
2013 Quigley A, Dong YY, Pike AC, Dong L, Shrestha L, Berridge G, Stansfeld PJ, Sansom MS, Edwards AM, Bountra C, von Delft F, Bullock AN, Burgess-Brown NA, Carpenter EP. The structural basis of ZMPSTE24-dependent laminopathies. Science (New York, N.Y.). 339: 1604-7. PMID 23539603 DOI: 10.1126/science.1231513  0.92
2013 Schmidt MR, Stansfeld PJ, Tucker SJ, Sansom MS. Simulation-based prediction of phosphatidylinositol 4,5-bisphosphate binding to an ion channel. Biochemistry. 52: 279-81. PMID 23270460 DOI: 10.1021/bi301350s  0.92
2013 Fotinou C, Aittoniemi J, de Wet H, Polidori A, Pucci B, Sansom MS, Vénien-Bryan C, Ashcroft FM. Tetrameric structure of SUR2B revealed by electron microscopy of oriented single particles. The Febs Journal. 280: 1051-63. PMID 23253866 DOI: 10.1111/febs.12097  0.92
2012 Rollauer SE, Tarry MJ, Graham JE, Jääskeläinen M, Jäger F, Johnson S, Krehenbrink M, Liu SM, Lukey MJ, Marcoux J, McDowell MA, Rodriguez F, Roversi P, Stansfeld PJ, Robinson CV, ... Sansom MS, et al. Structure of the TatC core of the twin-arginine protein transport system. Nature. 492: 210-4. PMID 23201679 DOI: 10.1038/nature11683  0.92
2012 Yates LA, Lumb CN, Brahme NN, Zalyte R, Bird LE, De Colibus L, Owens RJ, Calderwood DA, Sansom MS, Gilbert RJ. Structural and functional characterization of the kindlin-1 pleckstrin homology domain. The Journal of Biological Chemistry. 287: 43246-61. PMID 23132860 DOI: 10.1074/jbc.M112.422089  0.92
2012 Crowet JM, Parton DL, Hall BA, Steinhauer S, Brasseur R, Lins L, Sansom MSP. Multi-scale simulation of the simian immunodeficiency virus fusion peptide Journal of Physical Chemistry B. 116: 13713-13721. PMID 23094791 DOI: 10.1021/jp3027385  0.92
2012 Vostrikov VV, Hall BA, Sansom MSP, Koeppe RE. Accommodation of a central arginine in a transmembrane peptide by changing the placement of anchor residues Journal of Physical Chemistry B. 116: 12980-12990. PMID 23030363 DOI: 10.1021/jp308182b  0.92
2012 Hall BA, Armitage JP, Sansom MSP. Mechanism of Bacterial Signal Transduction Revealed by Molecular Dynamics of Tsr Dimers and Trimers of Dimers in Lipid Vesicles Plos Computational Biology. 8. PMID 23028283 DOI: 10.1371/journal.pcbi.1002685  0.92
2012 Lindau M, Hall BA, Chetwynd A, Beckstein O, Sansom MS. Coarse-grain simulations reveal movement of the synaptobrevin C-terminus in response to piconewton forces. Biophysical Journal. 103: 959-69. PMID 23009845 DOI: 10.1016/j.bpj.2012.08.007  0.92
2012 Rapedius M, Schmidt MR, Sharma C, Stansfeld PJ, Sansom MS, Baukrowitz T, Tucker SJ. State-independent intracellular access of quaternary ammonium blockers to the pore of TREK-1. Channels (Austin, Tex.). 6: 473-8. PMID 22991046 DOI: 10.4161/chan.22153  0.92
2012 de Wet H, Shimomura K, Aittoniemi J, Ahmad N, Lafond M, Sansom MS, Ashcroft FM. A universally conserved residue in the SUR1 subunit of the KATP channel is essential for translating nucleotide binding at SUR1 into channel opening. The Journal of Physiology. 590: 5025-36. PMID 22802590 DOI: 10.1113/jphysiol.2012.236075  0.92
2012 Andres-Enguix I, Shang L, Stansfeld PJ, Morahan JM, Sansom MS, Lafrenière RG, Roy B, Griffiths LR, Rouleau GA, Ebers GC, Cader ZM, Tucker SJ. Functional analysis of missense variants in the TRESK (KCNK18) K channel. Scientific Reports. 2: 237. PMID 22355750 DOI: 10.1038/srep00237  0.92
2012 Norimatsu Y, Ivetac A, Alexander C, Kirkham J, Odonnell N, Dawson DC, Sansom MSP. Cystic fibrosis transmembrane conductance regulator: A molecular model defines the architecture of the anion conduction path and locates a "bottleneck" in the pore Biochemistry. 51: 2199-2212. PMID 22352759 DOI: 10.1021/bi201888a  0.92
2012 Bavro VN, De Zorzi R, Schmidt MR, Muniz JR, Zubcevic L, Sansom MS, Vénien-Bryan C, Tucker SJ. Structure of a KirBac potassium channel with an open bundle crossing indicates a mechanism of channel gating. Nature Structural & Molecular Biology. 19: 158-63. PMID 22231399 DOI: 10.1038/nsmb.2208  0.92
2011 Kalli AC, Hall BA, Campbell ID, Sansom MSP. A helix heterodimer in a lipid bilayer: Prediction of the structure of an integrin transmembrane domain via multiscale simulations Structure. 19: 1477-1484. PMID 22000516 DOI: 10.1016/j.str.2011.07.014  0.92
2011 Lumb CN, He J, Xue Y, Stansfeld PJ, Stahelin RV, Kutateladze TG, Sansom MS. Biophysical and computational studies of membrane penetration by the GRP1 pleckstrin homology domain. Structure (London, England : 1993). 19: 1338-46. PMID 21893292 DOI: 10.1016/j.str.2011.04.010  0.92
2011 Hall BA, Chetwynd AP, Sansom MSP. Exploring peptide-membrane interactions with coarse-grained MD simulations Biophysical Journal. 100: 1940-1948. PMID 21504730 DOI: 10.1016/j.bpj.2011.02.041  0.92
2010 Chetwynd A, Wee CL, Hall BA, Sansom MSP. The energetics of transmembrane helix insertion into a lipid bilayer Biophysical Journal. 99: 2534-2540. PMID 20959094 DOI: 10.1016/j.bpj.2010.08.002  0.92
2010 Kalli AC, Wegener KL, Goult BT, Anthis NJ, Campbell ID, Sansom MSP. The Structure of the Talin/Integrin Complex at a Lipid Bilayer: An NMR and MD Simulation Study Structure. 18: 1280-1288. PMID 20947017 DOI: 10.1016/j.str.2010.07.012  0.92
2010 Paynter JJ, Andres-Enguix I, Fowler PW, Tottey S, Cheng W, Enkvetchakul D, Bavro VN, Kusakabe Y, Sansom MS, Robinson NJ, Nichols CG, Tucker SJ. Functional complementation and genetic deletion studies of KirBac channels: activatory mutations highlight gating-sensitive domains. The Journal of Biological Chemistry. 285: 40754-61. PMID 20876570 DOI: 10.1074/jbc.M110.175687  0.92
2010 Ramsey IS, Mokrab Y, Carvacho I, Sands ZA, Sansom MS, Clapham DE. An aqueous H+ permeation pathway in the voltage-gated proton channel Hv1. Nature Structural & Molecular Biology. 17: 869-75. PMID 20543828 DOI: 10.1038/nsmb.1826  0.92
2010 Vostrikov VV, Hall BA, Greathouse DV, Koeppe RE, Sansom MSP. Changes in transmembrane helix alignment by arginine residues revealed by solid-state NMR experiments and coarse-grained MD simulations Journal of the American Chemical Society. 132: 5803-5811. PMID 20373735 DOI: 10.1021/ja100598e  0.92
2010 Psachoulia E, Marshall DP, Sansom MS. Molecular dynamics simulations of the dimerization of transmembrane alpha-helices. Accounts of Chemical Research. 43: 388-96. PMID 20017540 DOI: 10.1021/ar900211k  0.92
2009 Stansfeld PJ, Hopkinson R, Ashcroft FM, Sansom MS. PIP(2)-binding site in Kir channels: definition by multiscale biomolecular simulations. Biochemistry. 48: 10926-33. PMID 19839652 DOI: 10.1021/bi9013193  0.92
2009 Alexander C, Ivetac A, Liu X, Norimatsu Y, Serrano JR, Landstrom A, Sansom M, Dawson DC. Cystic fibrosis transmembrane conductance regulator: Using differential reactivity toward channel-permeant and channel-impermeant thiol-reactive probes to test a molecular model for the pore Biochemistry. 48: 10078-10088. PMID 19754156 DOI: 10.1021/bi901314c  0.92
2009 Newstead S, Fowler PW, Bilton P, Carpenter EP, Sadler PJ, Campopiano DJ, Sansom MS, Iwata S. Insights into how nucleotide-binding domains power ABC transport. Structure (London, England : 1993). 17: 1213-22. PMID 19748342 DOI: 10.1016/j.str.2009.07.009  0.92
2008 Vaccaro L, Scott KA, Sansom MS. Gating at both ends and breathing in the middle: conformational dynamics of TolC. Biophysical Journal. 95: 5681-91. PMID 18835894 DOI: 10.1529/biophysj.108.136028  0.92
2008 Fowler PW, Tai K, Sansom MS. The selectivity of K+ ion channels: testing the hypotheses. Biophysical Journal. 95: 5062-72. PMID 18790851 DOI: 10.1529/biophysj.108.132035  0.92
2008 Bond PJ, Parton DL, Clark JF, Sansom MSP. Coarse-grained simulations of the membrane-active antimicrobial peptide maculatin 1.1 Biophysical Journal. 95: 3802-3815. PMID 18641064 DOI: 10.1529/biophysj.108.128686  0.92
2008 Rodrigues ML, Scott KA, Sansom MS, Pereira IA, Archer M. Quinol oxidation by c-type cytochromes: structural characterization of the menaquinol binding site of NrfHA. Journal of Molecular Biology. 381: 341-50. PMID 18597779 DOI: 10.1016/j.jmb.2008.05.066  0.92
2008 Sansom MS, Scott KA, Bond PJ. Coarse-grained simulation: a high-throughput computational approach to membrane proteins. Biochemical Society Transactions. 36: 27-32. PMID 18208379 DOI: 10.1042/BST0360027  0.92
2007 Rapedius M, Paynter JJ, Fowler PW, Shang L, Sansom MS, Tucker SJ, Baukrowitz T. Control of pH and PIP2 gating in heteromeric Kir4.1/Kir5.1 channels by H-Bonding at the helix-bundle crossing. Channels (Austin, Tex.). 1: 327-30. PMID 18690035 DOI: 10.4161/chan.5176  0.92
2007 Rapedius M, Fowler PW, Shang L, Sansom MS, Tucker SJ, Baukrowitz T. H bonding at the helix-bundle crossing controls gating in Kir potassium channels. Neuron. 55: 602-14. PMID 17698013 DOI: 10.1016/j.neuron.2007.07.026  0.92
2007 Amiri S, Sansom MS, Biggin PC. Molecular dynamics studies of AChBP with nicotine and carbamylcholine: the role of water in the binding pocket. Protein Engineering, Design & Selection : Peds. 20: 353-9. PMID 17595341 DOI: 10.1093/protein/gzm029  0.92
2007 Kaye SL, Sansom MS, Biggin PC. In silico mutation of cysteine residues in the ligand-binding domain of an N-methyl-D-aspartate receptor. Biochemistry. 46: 2136-45. PMID 17269660 DOI: 10.1021/bi061462d  0.92
2006 Holyoake J, Caulfeild V, Baldwin SA, Sansom MSP. Modeling, docking, and simulation of the major facilitator superfamily Biophysical Journal. 91. PMID 16980356 DOI: 10.1529/biophysj.106.093971  0.92
2006 Rapedius M, Haider S, Browne KF, Shang L, Sansom MS, Baukrowitz T, Tucker SJ. Structural and functional analysis of the putative pH sensor in the Kir1.1 (ROMK) potassium channel. Embo Reports. 7: 611-6. PMID 16641935 DOI: 10.1038/sj.embor.7400678  0.92
2006 Kaye SL, Sansom MS, Biggin PC. Molecular dynamics simulations of the ligand-binding domain of an N-methyl-D-aspartate receptor. The Journal of Biological Chemistry. 281: 12736-42. PMID 16513640 DOI: 10.1074/jbc.M512728200  0.92
2006 Johnston JM, Cook GA, Tomich JM, Sansom MS. Conformation and environment of channel-forming peptides: a simulation study. Biophysical Journal. 90: 1855-64. PMID 16387778 DOI: 10.1529/biophysj.105.069625  0.92
2004 Faraldo-Gómez JD, Forrest LR, Baaden M, Bond PJ, Domene C, Patargias G, Cuthbertson J, Sansom MS. Conformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations. Proteins. 57: 783-91. PMID 15317024 DOI: 10.1002/prot.20257  0.92
2003 Beckstein O, Biggin PC, Bond P, Bright JN, Domene C, Grottesi A, Holyoake J, Sansom MS. Ion channel gating: insights via molecular simulations. Febs Letters. 555: 85-90. PMID 14630324 DOI: 10.1016/S0014-5793(03)01151-7  0.92
2003 Faraldo-Gómez JD, Smith GR, Sansom MS. Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states. Biophysical Journal. 85: 1406-20. PMID 12944258 DOI: 10.1016/S0006-3495(03)74573-1  0.4
2003 Biggin PC, Sansom MS. Mechanosensitive channels: stress relief. Current Biology : Cb. 13: R183-5. PMID 12620208 DOI: 10.1016/S0960-9822(03)00119-2  0.92
2003 Tieleman DP, Borisenko V, Sansom MS, Woolley GA. Understanding pH-dependent selectivity of alamethicin K18 channels by computer simulation. Biophysical Journal. 84: 1464-9. PMID 12609853 DOI: 10.1016/S0006-3495(03)74959-5  0.52
2003 Grottesi A, Sansom MSP, Montal M. Molecular dynamics simulations of a K+ channel blocker: Tc1 toxin from Tityus cambridgei Febs Letters. 535: 29-33. PMID 12560073 DOI: 10.1016/S0014-5793(02)03849-8  0.92
2003 Sansom MS, Capener CE. Ion channels: open at last. Current Biology : Cb. 12: R566-8. PMID 12194840 DOI: 10.1016/S0960-9822(02)01056-4  0.36
2002 Biggin PC, Sansom MS. Open-state models of a potassium channel. Biophysical Journal. 83: 1867-76. PMID 12324408 DOI: 10.1016/S0006-3495(02)73951-9  0.92
2002 Shrivastava IH, Tieleman DP, Biggin PC, Sansom MS. K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study. Biophysical Journal. 83: 633-45. PMID 12124253  0.92
2002 Cordes FS, Tustian AD, Sansom MSP, Watts A, Fischer WB. Bundles consisting of extended transmembrane segments of Vpu from HIV-1: Computer simulations and conductance measurements Biochemistry. 41: 7359-7365. PMID 12044168 DOI: 10.1021/bi025518p  0.92
2002 Faraldo-Gómez JD, Smith GR, Sansom MS. Setting up and optimization of membrane protein simulations. European Biophysics Journal : Ebj. 31: 217-27. PMID 12029334 DOI: 10.1007/s00249-002-0207-5  0.4
2002 Smith GR, Sansom MS. Free energy of a potassium ion in a model of the channel formed by an amphipathic leucine-serine peptide. European Biophysics Journal : Ebj. 31: 198-206. PMID 12029332 DOI: 10.1007/s00249-002-0206-6  0.4
2002 Mongan NP, Jones AK, Smith GR, Sansom MS, Sattelle DB. Novel alpha7-like nicotinic acetylcholine receptor subunits in the nematode Caenorhabditis elegans. Protein Science : a Publication of the Protein Society. 11: 1162-71. PMID 11967372 DOI: 10.1110/ps.3040102  0.92
2001 Tieleman DP, Biggin PC, Smith GR, Sansom MS. Simulation approaches to ion channel structure-function relationships. Quarterly Reviews of Biophysics. 34: 473-561. PMID 11852594  0.92
2001 Sansom MS, Biggin PC. Water at the nanoscale. Nature. 414: 156-9. PMID 11700536 DOI: 10.1038/35102651  0.92
2001 Ranatunga KM, Law RJ, Smith GR, Sansom MS. Electrostatics studies and molecular dynamics simulations of a homology model of the Shaker K+ channel pore. European Biophysics Journal : Ebj. 30: 295-303. PMID 11548132 DOI: 10.1007/s002490100134  0.4
2001 Biggin PC, Sansom MS. Channel gating: twist to open. Current Biology : Cb. 11: R364-6. PMID 11369249 DOI: 10.1016/S0960-9822(01)00195-6  0.92
2001 Biggin PC, Smith GR, Shrivastava I, Choe S, Sansom MS. Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations. Biochimica Et Biophysica Acta. 1510: 1-9. PMID 11342142 DOI: 10.1016/S0005-2736(00)00345-X  0.92
2001 Ranatunga KM, Shrivastava IH, Smith GR, Sansom MS. Side-chain ionization states in a potassium channel. Biophysical Journal. 80: 1210-9. PMID 11222285 DOI: 10.1016/S0006-3495(01)76097-3  0.4
2001 Tieleman DP, Berendsen HJ, Sansom MS. Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces. Biophysical Journal. 80: 331-46. PMID 11159406 DOI: 10.1016/S0006-3495(01)76018-3  0.52
2001 Beckstein O, Biggin PC, Sansom MSP. A hydrophobic gating mechanism for nanopores Journal of Physical Chemistry B. 105: 12902-12905. DOI: 10.1021/jp012233y  0.92
2000 Fischer WB, Pitkeathly M, Wallace BA, Forrest LR, Smith GR, Sansom MS. Transmembrane peptide NB of influenza B: a simulation, structure, and conductance study. Biochemistry. 39: 12708-16. PMID 11027151 DOI: 10.1021/BI001000E  0.92
2000 Schnick C, Forrest LR, Sansom MS, Groth G. Molecular contacts in the transmembrane c-subunit oligomer of F-ATPases identified by tryptophan substitution mutagenesis. Biochimica Et Biophysica Acta. 1459: 49-60. PMID 10924898 DOI: 10.1016/S0005-2728(00)00112-2  0.32
2000 Capener CE, Shrivastava IH, Ranatunga KM, Forrest LR, Smith GR, Sansom MS. Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel. Biophysical Journal. 78: 2929-42. PMID 10827973 DOI: 10.1016/S0006-3495(00)76833-0  0.92
2000 Adcock C, Smith GR, Sansom MS. The nicotinic acetylcholine receptor: from molecular model to single-channel conductance. European Biophysics Journal : Ebj. 29: 29-37. PMID 10826776 DOI: 10.1007/s002490050248  0.4
2000 Fischer WB, Forrest LR, Smith GR, Sansom MS. Transmembrane domains of viral ion channel proteins: a molecular dynamics simulation study. Biopolymers. 53: 529-38. PMID 10766949 DOI: 10.1002/(SICI)1097-0282(200006)53:7<529::AID-BIP1>3.0.CO;2-6  0.92
2000 Forrest LR, Sansom MS. Membrane simulations: Bigger and better? Current Opinion in Structural Biology. 10: 174-181. PMID 10753807 DOI: 10.1016/S0959-440X(00)00066-X  0.92
1999 La Rocca P, Biggin PC, Tieleman DP, Sansom MS. Simulation studies of the interaction of antimicrobial peptides and lipid bilayers. Biochimica Et Biophysica Acta. 1462: 185-200. PMID 10590308 DOI: 10.1016/S0005-2736(99)00206-0  0.92
1999 Sansom MS, Tieleman DP, Berendsen HJ. The mechanism of channel formation by alamethicin as viewed by molecular dynamics simulations. Novartis Foundation Symposium. 225: 128-41; discussion 1. PMID 10472052  0.52
1999 Woolley GA, Starostin AV, Butan R, James DA, Wenschuh H, Sansom MS. Engineering charge selectivity in alamethicin channels. Novartis Foundation Symposium. 225: 62-9; discussion 69-. PMID 10472048 DOI: 10.1002/9780470515716.CH5  0.92
1999 Smith GR, Sansom MS. Effective diffusion coefficients of K+ and Cl- ions in ion channel models. Biophysical Chemistry. 79: 129-51. PMID 10389238 DOI: 10.1016/S0301-4622(99)00052-6  0.4
1999 Tieleman DP, Berendsen HJ, Sansom MS. Surface binding of alamethicin stabilizes its helical structure: molecular dynamics simulations. Biophysical Journal. 76: 3186-91. PMID 10354443 DOI: 10.1016/S0006-3495(99)77470-9  0.52
1999 Starostin AV, Butan R, Borisenko V, James DA, Wenschuh H, Sansom MS, Woolley GA. An anion-selective analogue of the channel-forming peptide alamethicin. Biochemistry. 38: 6144-50. PMID 10320341 DOI: 10.1021/bi9826355  0.92
1999 Forrest LR, Tieleman DP, Sansom MS. Defining the transmembrane helix of M2 protein from influenza A by molecular dynamics simulations in a lipid bilayer. Biophysical Journal. 76: 1886-96. PMID 10096886 DOI: 10.1016/S0006-3495(99)77347-9  0.36
1999 Tieleman DP, Berendsen HJ, Sansom MS. An alamethicin channel in a lipid bilayer: molecular dynamics simulations. Biophysical Journal. 76: 1757-69. PMID 10096876  0.52
1999 Biggin PC, Sansom MS. Interactions of alpha-helices with lipid bilayers: a review of simulation studies. Biophysical Chemistry. 76: 161-83. PMID 10074693 DOI: 10.1016/S0301-4622(98)00233-6  0.92
1999 Tieleman DP, Sansom MS, Berendsen HJ. Alamethicin helices in a bilayer and in solution: molecular dynamics simulations. Biophysical Journal. 76: 40-9. PMID 9876121 DOI: 10.1016/S0006-3495(99)77176-6  0.52
1999 Helluin O, Cosette P, Biggin PC, Sansom MSP, Duclohier H. Functional, structural and molecular dynamics correlates of voltage sensors: implications for gating mechanisms Ferroelectrics. 220: 329-341.  0.92
1998 Tieleman DP, Breed J, Berendsen HJ, Sansom MS. Alamethicin channels in a membrane: molecular dynamics simulations. Faraday Discussions. 209-23; discussion 2. PMID 10822611  0.52
1998 Smart OS, Coates GM, Sansom MS, Alder GM, Bashford CL. Structure-based prediction of the conductance properties of ion channels. Faraday Discussions. 185-99; discussion 2. PMID 10822609 DOI: 10.1039/A806771F  0.92
1998 Forrest LR, Degrado WF, Dieckmann GR, Sansom MSP. Two models of the influenza A M2 channel domain: Verification by comparison Folding and Design. 3: 443-448. PMID 9889158 DOI: 10.1016/S1359-0278(98)00061-3  0.92
1998 Tieleman DP, Forrest LR, Sansom MS, Berendsen HJ. Lipid properties and the orientation of aromatic residues in OmpF, influenza M2, and alamethicin systems: molecular dynamics simulations. Biochemistry. 37: 17554-61. PMID 9860871 DOI: 10.1021/bi981802y  0.92
1998 Smith GR, Sansom MS. Dynamic properties of Na+ ions in models of ion channels: a molecular dynamics study. Biophysical Journal. 75: 2767-82. PMID 9826599 DOI: 10.1016/S0006-3495(98)77720-3  0.4
1998 Forrest LR, Sansom MSP. Simulations of the M2 Channel for Influenza a Virus Biochemical Society Transactions. 26. PMID 9766022 DOI: 10.1042/BST026S303  0.92
1998 Ranatunga KM, Kerr ID, Adcock CA, Smith GR, Sansom MS. Molecular dynamics of ion/channel interactions. Biochemical Society Transactions. 26: S301. PMID 9766020 DOI: 10.1042/BST026S301  0.4
1998 Adcock C, Smith GR, Sansom MS. Electrostatics of ligand-gated ion channels. Biochemical Society Transactions. 26: S300. PMID 9766019 DOI: 10.1042/BST026S300  0.4
1998 Smith GR, Sansom MS. Dynamic properties of ions in models of ion channels studied by molecular dynamics simulation. Biochemical Society Transactions. 26: S195. PMID 9765914 DOI: 10.1042/BST026S195  0.4
1998 Adcock C, Smith GR, Sansom MS. Electrostatics and the ion selectivity of ligand-gated channels. Biophysical Journal. 75: 1211-22. PMID 9726923 DOI: 10.1016/S0006-3495(98)74040-8  0.4
1998 Buckingham SD, Adcock C, Sansom MS, Sattelle DB, Baylis HA. Functional characterization of a mutated chicken alpha7 nicotinic acetylcholine receptor subunit with a leucine residue inserted in transmembrane domain 2. British Journal of Pharmacology. 124: 747-55. PMID 9690867 DOI: 10.1038/sj.bjp.0701866  0.92
1998 Ranatunga KM, Kerr ID, Adcock C, Smith GR, Sansom MS. Protein-water-ion interactions in a model of the pore domain of a potassium channel: a simulation study. Biochimica Et Biophysica Acta. 1370: 1-7. PMID 9518528 DOI: 10.1016/S0005-2736(97)00271-X  0.4
1997 Adcock C, Smith GR, Sansom MS. Molecular modelling and electrostatic properties of the pore domain of ligand-gated receptors. Biochemical Society Transactions. 25: 549S. PMID 9388763 DOI: 10.1042/BST025549S  0.4
1997 Smith GR, Sansom MS. Molecular dynamics study of water and Na+ ions in models of the pore region of the nicotinic acetylcholine receptor. Biochemical Society Transactions. 25: 548S. PMID 9388762 DOI: 10.1042/BST025548S  0.4
1997 Jaikaran DC, Biggin PC, Wenschuh H, Sansom MS, Woolley GA. Structure-function relationships in helix-bundle channels probed via total chemical synthesis of alamethicin dimers: effects of a Gln7 to Asn7 mutation. Biochemistry. 36: 13873-81. PMID 9374865 DOI: 10.1021/bi9716130  0.92
1997 Smith GR, Sansom MS. Molecular dynamics study of water and Na+ ions in models of the pore region of the nicotinic acetylcholine receptor. Biophysical Journal. 73: 1364-81. PMID 9284304 DOI: 10.1016/S0006-3495(97)78169-4  0.4
1997 Woolley GA, Biggin PC, Schultz A, Lien L, Jaikaran DC, Breed J, Crowhurst K, Sansom MS. Intrinsic rectification of ion flux in alamethicin channels: studies with an alamethicin dimer. Biophysical Journal. 73: 770-8. PMID 9251793 DOI: 10.1016/S0006-3495(97)78109-8  0.92
1997 Breed J, Biggin PC, Kerr ID, Smart OS, Sansom MS. Alamethicin channels - modelling via restrained molecular dynamics simulations. Biochimica Et Biophysica Acta. 1325: 235-49. PMID 9168149 DOI: 10.1016/S0005-2736(96)00262-3  0.92
1997 Smart OS, Breed J, Smith GR, Sansom MS. A novel method for structure-based prediction of ion channel conductance properties. Biophysical Journal. 72: 1109-26. PMID 9138559 DOI: 10.1016/S0006-3495(97)78760-5  0.92
1997 Biggin PC, Breed J, Son HS, Sansom MS. Simulation studies of alamethicin-bilayer interactions. Biophysical Journal. 72: 627-36. PMID 9017192  0.92
1997 Sankararamakrishnan R, Adcock C, Sansom MS. The pore domain of the nicotinic acetylcholine receptor: molecular modeling, pore dimensions, and electrostatics. Biophysical Journal. 71: 1659-71. PMID 8889144 DOI: 10.1016/S0006-3495(96)79370-0  0.48
1996 Smart OS, Neduvelil JG, Wang X, Wallace BA, Sansom MS. HOLE: a program for the analysis of the pore dimensions of ion channel structural models. Journal of Molecular Graphics. 14: 354-60, 376. PMID 9195488 DOI: 10.1016/S0263-7855(97)00009-X  0.92
1996 Kerr ID, Son HS, Sankararamakrishnan R, Sansom MS. Molecular dynamics simulations of isolated transmembrane helices of potassium channels. Biopolymers. 39: 503-15. PMID 8837517 DOI: 10.1002/(SICI)1097-0282(199610)39:4<503::AID-BIP3>3.0.CO;2-0  0.44
1996 Breed J, Sankararamakrishnan R, Kerr ID, Sansom MS. Molecular dynamics simulations of water within models of ion channels. Biophysical Journal. 70: 1643-61. PMID 8785323 DOI: 10.1016/S0006-3495(96)79727-8  0.44
1996 Biggin PC, Sansom MS. Simulation of voltage-dependent interactions of alpha-helical peptides with lipid bilayers. Biophysical Chemistry. 60: 99-110. PMID 8679929 DOI: 10.1016/0301-4622(96)00015-4  0.92
1996 Sankararamakrishnan R, Sansom MS. Molecular dynamics simulations on solvated M2 helix bundles of nicotinic receptors. Biochemical Society Transactions. 24: 138S. PMID 8674628 DOI: 10.1042/BST024138S  0.76
1996 Biggin PC, Sansom MS. Simulation of voltage-dependent insertion of alpha-helical peptides into lipid bilayers. Biochemical Society Transactions. 24: 137S. PMID 8674627  0.92
1996 Gazit E, Miller IR, Biggin PC, Sansom MS, Shai Y. Structure and orientation of the mammalian antibacterial peptide cecropin P1 within phospholipid membranes. Journal of Molecular Biology. 258: 860-70. PMID 8637016 DOI: 10.1006/jmbi.1996.0293  0.92
1996 Sankararamakrishnan R, Sansom MS. Water-mediated conformational transitions in nicotinic receptor M2 helix bundles: a molecular dynamics study. Febs Letters. 377: 377-82. PMID 8549759 DOI: 10.1016/0014-5793(95)01376-8  0.64
1996 Sankararamakrishnan R, Sansom MS. Modelling packing interactions in parallel helix bundles: pentameric bundles of nicotinic receptor M2 helices. Biochimica Et Biophysica Acta. 1239: 122-32. PMID 7488617 DOI: 10.1016/0005-2736(95)00165-Y  0.76
1995 Breed J, Kerr ID, Sankararamakrishnan R, Sansom MS. Packing interactions of Aib-containing helices: molecular modeling of parallel dimers of simple hydrophobic helices and of alamethicin. Biopolymers. 35: 639-55. PMID 7766829 DOI: 10.1002/BIP.360350610  0.32
1995 Sankararamakrishnan R, Sansom MS. Structural features of isolated M2 helices of nicotinic receptors. Simulated annealing via molecular dynamics studies. Biophysical Chemistry. 55: 215-30. PMID 7626742 DOI: 10.1016/0301-4622(95)00006-J  0.56
1994 Kerr ID, Sankararamakrishnan R, Sansom MS. Simplified models of the pore domain of the nicotinic acetylcholine receptor. Biochemical Society Transactions. 22: 158S. PMID 7958226 DOI: 10.1042/BST022158S  0.52
1994 Sankararamakrishnan R, Sansom MS. Molecular dynamics studies of M2 helices of nicotinic acetylcholine receptors. Biochemical Society Transactions. 22: 156S. PMID 7958224 DOI: 10.1042/BST022156S  0.64
1994 Kerr ID, Sankararamakrishnan R, Smart OS, Sansom MS. Parallel helix bundles and ion channels: molecular modeling via simulated annealing and restrained molecular dynamics. Biophysical Journal. 67: 1501-15. PMID 7529585 DOI: 10.1016/S0006-3495(94)80624-1  0.92
1994 Kerr ID, Sansom MS. Hydrophilic surface maps of channel-forming peptides: analysis of amphipathic helices. European Biophysics Journal : Ebj. 22: 269-77. PMID 7504619 DOI: 10.1007/BF00180261  0.32
1993 Sansom MS, Balaram P, Karle IL. Ion channel formation by zervamicin-IIB. A molecular modelling study. European Biophysics Journal : Ebj. 21: 369-83. PMID 7680608 DOI: 10.1007/BF00185864  0.92
1992 Agarwalla S, Mellor IR, Sansom MS, Karle IL, Flippen-Anderson JL, Uma K, Krishna K, Sukumar M, Balaram P. Zervamicins, a structurally characterised peptide model for membrane ion channels. Biochemical and Biophysical Research Communications. 186: 8-15. PMID 1378732 DOI: 10.1016/S0006-291X(05)80768-5  0.92
1990 Sansom MS, Usherwood PN. Single-channel studies of glutamate receptors. International Review of Neurobiology. 32: 51-106. PMID 1981887  0.92
1990 Bates SE, Sansom MS, Ball FG, Ramsey RL, Usherwood PN. Glutamate receptor-channel gating. Maximum likelihood analysis of gigaohm seal recordings from locust muscle. Biophysical Journal. 58: 219-29. PMID 1696510 DOI: 10.1016/S0006-3495(90)82367-5  0.92
1989 Sansom MS, Ball FG, Kerry CJ, McGee R, Ramsey RL, Usherwood PN. Markov, fractal, diffusion, and related models of ion channel gating. A comparison with experimental data from two ion channels. Biophysical Journal. 56: 1229-43. PMID 2482085 DOI: 10.1016/S0006-3495(89)82770-5  0.92
1988 Ball FG, Kerry CJ, Ramsey RL, Sansom MS, Usherwood PN. The use of dwell time cross-correlation functions to study single-ion channel gating kinetics. Biophysical Journal. 54: 309-20. PMID 2462924 DOI: 10.1016/S0006-3495(88)82961-8  0.92
1987 Kerry CJ, Kits KS, Ramsey RL, Sansom MS, Usherwood PN. Single channel kinetics of a glutamate receptor. Biophysical Journal. 51: 137-44. PMID 2436676 DOI: 10.1016/S0006-3495(87)83318-0  0.92
1985 Sansom MSP, Stuart DI, Acharya KR, Hajdu J, McLaughlin PJ, Johnson LN. Glycogen phosphorylase b - the molecular anatomy of a large regulatory enzyme Journal of Molecular Structure: Theochem. 24: 3-25. DOI: 10.1016/0166-1280(85)85181-2  0.92
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