| Year |
Citation |
Score |
| 2022 |
Bock LV, Gabrielli S, Kolář MH, Grubmüller H. Simulation of Complex Biomolecular Systems: The Ribosome Challenge. Annual Review of Biophysics. PMID 36719969 DOI: 10.1146/annurev-biophys-111622-091147 |
0.6 |
|
| 2022 |
Kolář MH, Nagy G, Kunkel J, Vaiana SM, Bock LV, Grubmüller H. Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel. Nucleic Acids Research. 50: 2258-2269. PMID 35150281 DOI: 10.1093/nar/gkac038 |
0.632 |
|
| 2021 |
Buelens FP, Leonov H, de Groot BL, Grubmüller H. ATP-Magnesium Coordination: Protein Structure-Based Force Field Evaluation and Corrections. Journal of Chemical Theory and Computation. 17: 1922-1930. PMID 33616388 DOI: 10.1021/acs.jctc.0c01205 |
0.303 |
|
| 2020 |
Igaev M, Grubmüller H. Microtubule instability driven by longitudinal and lateral strain propagation. Plos Computational Biology. 16. PMID 32877399 DOI: 10.1371/Journal.Pcbi.1008132 |
0.34 |
|
| 2020 |
Dobrev P, Vemulapalli SPB, Nath N, Griesinger C, Groenhof G, Grubmüller H. Correction to "Probing the Accuracy of Explicit Solvent Constant pH Molecular Dynamics Simulations for Peptides". Journal of Chemical Theory and Computation. PMID 32501010 DOI: 10.1021/Acs.Jctc.0C00500 |
0.365 |
|
| 2020 |
Dobrev P, Vemulapalli SPB, Nath N, Griesinger C, Grubmüller H. Probing the accuracy of explicit solvent constant pH molecular dynamics simulations for peptides. Journal of Chemical Theory and Computation. PMID 32192342 DOI: 10.1021/Acs.Jctc.9B01232 |
0.391 |
|
| 2020 |
Heinz LP, Grubmüller H. Computing spatially resolved rotational hydration entropies from atomistic simulations Journal of Chemical Theory and Computation. 16: 108-118. PMID 31822062 DOI: 10.1021/Acs.Jctc.9B00926 |
0.381 |
|
| 2019 |
Abraham MJ, Apostolov RP, Barnoud J, Bauer P, Blau C, Bonvin AMJJ, Chavent M, Chodera JD, Čondić-Jurkić K, Delemotte L, Grubmüller H, Howard RJ, Jordan EJ, Lindal E, Ollila OHS, et al. Sharing Data from Molecular Simulations. Journal of Chemical Information and Modeling. PMID 31525920 DOI: 10.1021/Acs.Jcim.9B00665 |
0.366 |
|
| 2019 |
Nagy G, Igaev M, Jones NC, Hoffmann SV, Grubmüller H. SESCA: Predicting Circular Dichroism Spectra from Protein Molecular Structures. Journal of Chemical Theory and Computation. PMID 31402660 DOI: 10.1021/Acs.Jctc.9B00203 |
0.339 |
|
| 2019 |
Rico F, Russek A, González L, Grubmüller H, Scheuring S. Heterogeneous and rate-dependent streptavidin-biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations. Proceedings of the National Academy of Sciences of the United States of America. PMID 30890636 DOI: 10.1073/Pnas.1816909116 |
0.439 |
|
| 2019 |
Igaev M, Kutzner C, Bock LV, Vaiana AC, Grubmüller H. Automated cryo-EM structure refinement using correlation-driven molecular dynamics. Elife. 8. PMID 30829573 DOI: 10.7554/Elife.43542 |
0.353 |
|
| 2019 |
Igaev M, Kutzner C, Bock LV, Vaiana AC, Grubmüller H. Author response: Automated cryo-EM structure refinement using correlation-driven molecular dynamics Elife. DOI: 10.7554/Elife.43542.039 |
0.35 |
|
| 2018 |
Graen T, Klement R, Grupi A, Haas E, Grubmüller H. Transient Secondary and Tertiary Structure Formation Kinetics in the Intrinsically Disordered State of α-Synuclein from Atomistic Simulations. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30047198 DOI: 10.1002/Cphc.201800504 |
0.357 |
|
| 2018 |
Rydzewski J, Jakubowski R, Nowak W, Grubmüller H. Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways. Journal of Chemical Theory and Computation. PMID 29715428 DOI: 10.1021/Acs.Jctc.8B00173 |
0.392 |
|
| 2018 |
Igaev M, Grubmüller H. Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit Elife. 7. PMID 29652248 DOI: 10.7554/Elife.34353 |
0.384 |
|
| 2018 |
Bock LV, Kolář MH, Grubmüller H. Molecular simulations of the ribosome and associated translation factors Current Opinion in Structural Biology. 49: 27-35. PMID 29202442 DOI: 10.1016/J.Sbi.2017.11.003 |
0.662 |
|
| 2018 |
Bubnis G, Grubmuller H. Directing membrane poration in MD simulations with embedded mechanical gizmos. Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.3636 |
0.318 |
|
| 2018 |
Igaev M, Grubmüller H. Nucleotide-dependent Conformational Dynamics and Energetics of Tubulin Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.2754 |
0.372 |
|
| 2017 |
Huter P, Arenz S, Bock LV, Graf M, Frister JO, Heuer A, Peil L, Starosta AL, Wohlgemuth I, Peske F, Nováček J, Berninghausen O, Grubmüller H, Tenson T, Beckmann R, et al. Structural Basis for Polyproline-Mediated Ribosome Stalling and Rescue by the Translation Elongation Factor EF-P. Molecular Cell. 68: 515-527.e6. PMID 29100052 DOI: 10.1016/J.Molcel.2017.10.014 |
0.322 |
|
| 2017 |
Czub J, Wieczór M, Prokopowicz B, Grubmüller H. Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase. Journal of the American Chemical Society. 139: 4025-4034. PMID 28253614 DOI: 10.1021/Jacs.6B11708 |
0.372 |
|
| 2017 |
Ullmann RT, Kutzner C, Beckmann A, Kohnke B, Haensel D, Kabadshow I, Dachsel H, Hess B, Grubmüller H. Gromex: Electrostatics with Chemical Variability for Realistic Molecular Simulations on the Exascale Biophysical Journal. 112: 1-6. DOI: 10.1016/J.Bpj.2016.11.976 |
0.412 |
|
| 2017 |
Bock LV, Fischer N, Stark H, Grubmüller H. Dynamics and Energetics of Elongation Factor SelB in the Ternary Complex and the Ribosome Biophysical Journal. 112. DOI: 10.1016/J.Bpj.2016.11.302 |
0.426 |
|
| 2016 |
Dobrev P, Donnini S, Groenhof G, Grubmüller H. Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and pKa Calculations. Journal of Chemical Theory and Computation. PMID 27966355 DOI: 10.1021/Acs.Jctc.6B00807 |
0.371 |
|
| 2016 |
Bubnis G, Risselada HJ, Grubmüller H. Exploiting lipid permutation symmetry to compute membrane remodeling free energies. Physical Review Letters. 117: 188102. PMID 27834997 DOI: 10.1103/Physrevlett.117.188102 |
0.3 |
|
| 2016 |
Huang J, Rauscher S, Nawrocki G, Ran T, Feig M, de Groot BL, Grubmüller H, MacKerell AD. CHARMM36m: an improved force field for folded and intrinsically disordered proteins. Nature Methods. PMID 27819658 DOI: 10.1016/J.Bpj.2016.11.971 |
0.717 |
|
| 2016 |
Voß B, Seifert R, Kaupp UB, Grubmüller H. A Quantitative Model for cAMP Binding to the Binding Domain of MloK1. Biophysical Journal. 111: 1668-1678. PMID 27760354 DOI: 10.1016/J.Bpj.2016.09.014 |
0.311 |
|
| 2016 |
Arenz S, Bock LV, Graf M, Innis CA, Beckmann R, Grubmüller H, Vaiana AC, Wilson DN. A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest. Nature Communications. 7: 12026. PMID 27380950 DOI: 10.1038/Ncomms12026 |
0.339 |
|
| 2016 |
Donnini S, Ullmann RT, Groenhof G, Grubmüller H. Charge-neutral constant pH molecular dynamics simulations using a parsimonious proton buffer. Journal of Chemical Theory and Computation. 12: 1040-1051. PMID 26881315 DOI: 10.1021/Acs.Jctc.5B01160 |
0.349 |
|
| 2016 |
Blau C, Lenner N, Kutzner C, Grubmuller H, Lindahl E. From CRYO-EM Densities to Atom Coordinates and Ensembles with Bayes Approach Biophysical Journal. 110: 156a-157a. DOI: 10.1016/J.Bpj.2015.11.878 |
0.364 |
|
| 2016 |
Volkhardt A, Grubmüller H. Estimating the Ruggedness of Protein Free Energy Landscapes from Molecular Dynamics Simulations Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.3440 |
0.396 |
|
| 2016 |
Bubnis G, Grubmuller H. Directing Membrane Pore and Stalk Formation in MD Simulations with Embedded Mechanical Devices Biophysical Journal. 110: 570. DOI: 10.1016/J.Bpj.2015.11.3053 |
0.363 |
|
| 2016 |
Klement R, Graen T, Grupi A, Haas E, Grubmüller H. Molecular Dynamics Simulations of Alpha-Synuclein Ensemble FRET Measurements from Different Force Fields Biophysical Journal. 110: 551a. DOI: 10.1016/J.Bpj.2015.11.2949 |
0.381 |
|
| 2016 |
Bock LV, Arenz S, Wilson DN, Grubmüller H, Vaiana AC. ErmBL translation on the ribosome in the presence of erythromycin is stalled by inhibition of peptide bond formation. Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.1291 |
0.371 |
|
| 2016 |
Bock LV, Blau C, Vaiana AC, Grubmuller H. Low Energy Barriers and a Dynamic Contact Network between Ribosomal Subunits Enable Rapid tRNA Translocation Biophysical Journal. 110. DOI: 10.1016/J.Bpj.2015.11.061 |
0.399 |
|
| 2015 |
Rose AS, Zachariae U, Grubmüller H, Hofmann KP, Scheerer P, Hildebrand PW. Role of Structural Dynamics at the Receptor G Protein Interface for Signal Transduction. Plos One. 10: e0143399. PMID 26606751 DOI: 10.1371/Journal.Pone.0143399 |
0.31 |
|
| 2015 |
Rauscher S, Gapsys V, Gajda MJ, Zweckstetter M, de Groot BL, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment. Journal of Chemical Theory and Computation. 11: 5513-24. PMID 26574339 DOI: 10.1021/Acs.Jctc.5B00736 |
0.722 |
|
| 2015 |
Osadnik H, Schöpfel M, Heidrich E, Mehner D, Lilie H, Parthier C, Risselada HJ, Grubmüller H, Stubbs MT, Brüser T. PspF-binding domain PspA1-144 and the PspA·F complex: New insights into the coiled-coil-dependent regulation of AAA+ proteins. Molecular Microbiology. 98: 743-59. PMID 26235546 DOI: 10.1111/Mmi.13154 |
0.326 |
|
| 2015 |
Halder K, Dölker N, Van Q, Gregor I, Dickmanns A, Baade I, Kehlenbach RH, Ficner R, Enderlein J, Grubmüller H, Neumann H. MD simulations and FRET reveal an environment-sensitive conformational plasticity of importin-β. Biophysical Journal. 109: 277-86. PMID 26200863 DOI: 10.1016/J.Bpj.2015.06.014 |
0.4 |
|
| 2015 |
Bock LV, Blau C, Vaiana AC, Grubmüller H. Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation Nucleic Acids Research. 43: 6747-6760. PMID 26109353 DOI: 10.1093/Nar/Gkv649 |
0.368 |
|
| 2015 |
Michielssens S, de Groot BL, Grubmüller H. Binding affinities controlled by shifting conformational equilibria: opportunities and limitations. Biophysical Journal. 108: 2585-90. PMID 25992736 DOI: 10.1016/J.Bpj.2015.04.012 |
0.348 |
|
| 2015 |
Kumar R, Grubmüller H. do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations. Bioinformatics (Oxford, England). PMID 25838463 DOI: 10.1093/Bioinformatics/Btv190 |
0.379 |
|
| 2015 |
Russek A, Rico F, Scheuring S, Grubmuller H. Bringing Force Probe Molecular Dynamics Simulations Closer to Experiments Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.918 |
0.428 |
|
| 2015 |
Blau C, Bock L, Kutzner C, Vaiana A, Grubmuller H. Bayesian cryo-EM Refinement Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.2571 |
0.352 |
|
| 2015 |
Vaiana AC, Kutzner C, Bock LV, Blau C, Grubmüller H. Structural Determinants of Hybrid State Intermediates of the Bacterial Ribosome Biophysical Journal. 108: 3-8. DOI: 10.1016/J.Bpj.2014.11.1730 |
0.363 |
|
| 2015 |
Bock LV, Blau C, Vaiana AC, Grubmüller H. Balanced Interactions between Ribosomal Subunits Allow Rapid Large-Scale Rotation Biophysical Journal. 108: 26. DOI: 10.1016/J.Bpj.2014.11.168 |
0.362 |
|
| 2015 |
Voß B, Kaupp UB, Grubmüller H. Encounter and Binding of Camp at the Binding Domain of Mlok1 Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.1196 |
0.323 |
|
| 2015 |
Rauscher S, Gapsys V, Groot Bd, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins using Molecular Dynamics Simulation Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.100 |
0.728 |
|
| 2014 |
Graen T, Hoefling M, Grubmüller H. AMBER-DYES: Characterization of charge fluctuations and force field parameterization of fluorescent dyes for molecular dynamics simulations. Journal of Chemical Theory and Computation. 10: 5505-5512. PMID 26583233 DOI: 10.1021/Ct500869P |
0.383 |
|
| 2014 |
Hub JS, Groot BLd, Grubmüller H, Groenhof G. Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge Journal of Chemical Theory and Computation. 10: 381-390. PMID 26579917 DOI: 10.1021/Ct400626B |
0.311 |
|
| 2014 |
Walczak M, Grubmüller H. Bayesian orientation estimate and structure information from sparse single-molecule x-ray diffraction images. Physical Review E. 90: 22714-22714. PMID 25215765 DOI: 10.1103/Physreve.90.022714 |
0.33 |
|
| 2014 |
Vöhringer-Martinez E, Link O, Lugovoy E, Siefermann KR, Wiederschein F, Grubmüller H, Abel B. Hydrogen bond dynamics of superheated water and methanol by ultrafast IR-pump and EUV-photoelectron probe spectroscopy Physical Chemistry Chemical Physics. 16: 19365-19375. PMID 25102451 DOI: 10.1039/C4Cp02063D |
0.316 |
|
| 2014 |
Rose AS, Elgeti M, Zachariae U, Grubmüller H, Hofmann KP, Scheerer P, Hildebrand PW. Position of transmembrane helix 6 determines receptor G protein coupling specificity Journal of the American Chemical Society. 136: 11244-11247. PMID 25046433 DOI: 10.1021/Ja5055109 |
0.354 |
|
| 2014 |
Risselada HJ, Bubnis G, Grubmüller H. Expansion of the fusion stalk and its implication for biological membrane fusion Proceedings of the National Academy of Sciences of the United States of America. 111: 11043-11048. PMID 25024174 DOI: 10.1073/Pnas.1323221111 |
0.321 |
|
| 2014 |
Czub J, Grubmüller H. Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty Beta Subunit of F1-ATPase Journal of the American Chemical Society. 136: 6960-6968. PMID 24798048 DOI: 10.1021/Ja500120M |
0.351 |
|
| 2014 |
Kumar R, Grubmüller H. Elastic properties and heterogeneous stiffness of the Phi29 motor connector channel. Biophysical Journal. 106: 1338-1348. PMID 24655509 DOI: 10.1016/J.Bpj.2014.01.028 |
0.37 |
|
| 2014 |
Kumar R, Grubmüller H. Exceptional Heterogeneous Elasticity and One-Way Valve Mechanism of the PHi29 Head-Tail Connector Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.414 |
0.303 |
|
| 2014 |
Voβ B, Grubmüller H. Conformational Changes in Protein Binding Processes Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.3609 |
0.39 |
|
| 2014 |
Rose AS, Elgeti M, Scheerer P, Zacchariae U, Heck M, Bartl FJ, Grubmüller H, Hofmann KP, Hildebrand PW. Conformational Dynamics During GPCR - G Protein Coupling Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.282 |
0.377 |
|
| 2014 |
Bock LV, Blau C, Schröder GF, Davydov I, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmuller H. Rapid and stable transfer RNA translocation through the ribosome ensured by specific contact mechanisms. Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.2758 |
0.331 |
|
| 2014 |
Bock LV, Blau C, Vaiana AC, Grubmuller H. Concerted interactions between ribosomal subunits allow for large-scale rotations. Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.2748 |
0.373 |
|
| 2014 |
Graen T, Grubmüller H. Lifting Constraints in Protein Molecular Dynamics Simulations Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.2284 |
0.387 |
|
| 2014 |
Rauscher S, Gapsys V, Volkhardt A, Blau C, Groot BLd, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.1590 |
0.724 |
|
| 2014 |
Blau C, Bock LV, Schröder GF, Davydov I, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmuller H. Ribosomal Kinetics and Concerted Motions from Nanoseconds to Seconds Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.1463 |
0.376 |
|
| 2014 |
Vaiana AC, Kutzner C, Bock LV, Blau C, Grubmuller H. Refining Crystal Structures Against Cryo-EM Data using Molecular Dynamics Simulations to Obtain a Complete Atomistic Pathway of Transfer RNA Translocation Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.1405 |
0.428 |
|
| 2013 |
Donnini S, Tegeler F, Groenhof G, Grubmüller H. Correction to Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics. Journal of Chemical Theory and Computation. 9: 3261-3261. PMID 26584001 DOI: 10.1021/Ct400439G |
0.337 |
|
| 2013 |
Bock LV, Blau C, Schröder GF, Davydov II, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmüller H. Energy barriers and driving forces in tRNA translocation through the ribosome. Nature Structural & Molecular Biology. 20: 1390-6. PMID 24186064 DOI: 10.1038/Nsmb.2690 |
0.401 |
|
| 2013 |
Monecke T, Haselbach D, Voß B, Russek A, Neumann P, Thomson E, Hurt E, Zachariae U, Stark H, Grubmüller H, Dickmanns A, Ficner R. Structural basis for cooperativity of CRM1 export complex formation. Proceedings of the National Academy of Sciences of the United States of America. 110: 960-5. PMID 23277578 DOI: 10.1073/Pnas.1215214110 |
0.383 |
|
| 2013 |
Blau C, Grubmuller H. g_contacts: Fast contact search in bio-molecular ensemble data ✩,✩✩ Computer Physics Communications. 184: 2856-2859. DOI: 10.1016/J.Cpc.2013.07.018 |
0.335 |
|
| 2013 |
Hoefling M, Grubmüller H. In silico FRET from simulated dye dynamics Computer Physics Communications. 184: 841-852. DOI: 10.1016/J.Cpc.2012.10.018 |
0.384 |
|
| 2013 |
Volkhardt A, Meyer T, Grubmüller H. Exploring protein energy landscapes with time-dependent principal component analysis. Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.963 |
0.388 |
|
| 2013 |
Monecke T, Haselbach D, Voß B, Russek A, Neumann P, Thomson E, Hurt E, Zachariae U, Stark H, Grubmüller H, Dickmanns A, Ficner R. Structural determinants of conformational flexibility and long-range allostery of the CRM1 export complex. Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.411 |
0.395 |
|
| 2013 |
Graen TMD, Grubmüller H. Heat Transfer Pathways in Proteins Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.3783 |
0.352 |
|
| 2013 |
Buelens F, Grininger M, Grubmüller H. Reaction Control in Fungal Fatty Acid Synthase Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.3675 |
0.317 |
|
| 2013 |
Risselada HJ, Müller M, Grubmüller H. Fusion proteins - Different tools for different jobs? Biophysical Journal. 104: 664. DOI: 10.1016/J.Bpj.2012.11.3664 |
0.344 |
|
| 2013 |
Blau C, Bock LV, Schröder GF, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmüller H. Rate estimates from sampling sparse transitions: TRNA motion limits transitions between ribosomal translocation intermediates. Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.3662 |
0.31 |
|
| 2013 |
Russek A, Grubmüller H. Enforced unfolding and mechanical properties of the importin-beta and importin-beta-binding-domain complex. Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.3086 |
0.351 |
|
| 2013 |
Rose AS, Zachariae U, Scheerer P, Grubmüller H, Hofmann KP, Hildebrand PW. Dynamics of C-Terminal Gtα and Gsα Peptides in the Binding Cavity of Active GPCRs Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.2977 |
0.366 |
|
| 2013 |
Herrmann A, Sieben C, Kappel C, Zhu R, Rankl C, Wozniak A, Hinterdorfer P, Grubmüller H. Influenza Virus Binds its Host Cell using Multiple Dynamic Interactions Revealed by Single Virus Force Spectroscopy and Force Probe Molecular Dynamics Biophysical Journal. 104: 4-5. DOI: 10.1016/J.Bpj.2012.11.2312 |
0.36 |
|
| 2013 |
Bock LV, Blau C, Schröder GF, Fischer N, Stark H, Rodnina MV, Vaiana AC, Grubmüller H. Mechanisms for Efficient TRNA Translocation through the Ribosome Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.118 |
0.387 |
|
| 2013 |
Rauscher S, Grubmüller H. Structural Ensembles of Intrinsically Disordered FG-Nucleoporins Depend on Force Field Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.115 |
0.722 |
|
| 2013 |
Grubmuller H. Dynamics of the Ribosomal Subunit Interface during TRNA Translocation at Near-Atomic Resolution Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.046 |
0.405 |
|
| 2013 |
Meyer T, Gabelica V, Grubmüller H, Orozco M. Proteins in the gas phase Wiley Interdisciplinary Reviews: Computational Molecular Science. 3: 408-425. DOI: 10.1002/Wcms.1130 |
0.331 |
|
| 2012 |
Kappel C, Dölker N, Kumar R, Zink M, Zachariae U, Grubmüller H. Universal relaxation governs the nonequilibrium elasticity of biomolecules. Physical Review Letters. 109: 118304. PMID 23005687 DOI: 10.1103/Physrevlett.109.118304 |
0.411 |
|
| 2012 |
Sieben C, Kappel C, Zhu R, Wozniak A, Rankl C, Hinterdorfer P, Grubmüller H, Herrmann A. Influenza virus binds its host cell using multiple dynamic interactions. Proceedings of the National Academy of Sciences of the United States of America. 109: 13626-31. PMID 22869709 DOI: 10.1073/Pnas.1120265109 |
0.351 |
|
| 2012 |
Risselada HJ, Marelli G, Fuhrmans M, Smirnova YG, Grubmüller H, Marrink SJ, Müller M. Line-tension controlled mechanism for influenza fusion. Plos One. 7: e38302. PMID 22761674 DOI: 10.1371/Journal.Pone.0038302 |
0.316 |
|
| 2012 |
Hensen U, Meyer T, Haas J, Rex R, Vriend G, Grubmüller H. Exploring protein dynamics space: the dynasome as the missing link between protein structure and function. Plos One. 7: e33931. PMID 22606222 DOI: 10.1371/Journal.Pone.0033931 |
0.387 |
|
| 2012 |
Inhester L, Burmeister CF, Groenhof G, Grubmüller H. Auger spectrum of a water molecule after single and double core ionization. Journal of Chemical Physics. 136: 144304-144304. PMID 22502515 DOI: 10.1063/1.3700233 |
0.327 |
|
| 2012 |
Risselada HJ, Grubmüller H. How SNARE molecules mediate membrane fusion: Recent insights from molecular simulations. Current Opinion in Structural Biology. 22: 187-196. PMID 22365575 DOI: 10.1016/J.Sbi.2012.01.007 |
0.325 |
|
| 2012 |
Seeliger D, Soeroes S, Klingberg R, Schwarzer D, Grubmüller H, Fischle W. Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches Acs Chemical Biology. 7: 150-154. PMID 21991995 DOI: 10.1021/Cb200363R |
0.321 |
|
| 2012 |
Seeliger D, Buelens FP, Goette M, Bert dGL, Grubmuller H. Specificity Profiles for DNA-Binding Proteins from Exhaustive In-Silico Screening Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.429 |
0.326 |
|
| 2012 |
Blau C, Bock LV, Schroeder GF, Fischer N, Stark H, Vaiana AC, Grubmuller H. Contacts Between Ribosome Parts Refined by Molecular Dynamics Simulations Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.405 |
0.412 |
|
| 2012 |
Bock LV, Blau C, Schröder GF, Fischer N, Stark H, Vaiana AC, Grubmüller H. Transfer RNAs Store Conformational Free Energy in the Ribosome Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.395 |
0.405 |
|
| 2012 |
Bock LV, Blau C, Schröder GF, Fischer N, Stark H, Vaiana AC, Grubmüller H. Dynamic, Energetic, and Kinetic Determinants of Ribosomal Translocation: Microsecond All-Atom Simulations of Hybrid Cryoem/X-Ray Structural Substates Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.394 |
0.443 |
|
| 2012 |
Klement R, Grubmüller H, Haas E. α-Synuclein Monomer Conformations Studied by in Silico and in Vitro FRET Biophysical Journal. 102: 630a. DOI: 10.1016/J.Bpj.2011.11.3430 |
0.376 |
|
| 2012 |
Meyer T, Hensen U, Haas J, Rex R, Vriend G, Grubmüller H. The Dynasome as the Missing Link Between Protein Structure and Function Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2465 |
0.4 |
|
| 2012 |
Dobrev P, Donnini S, Groenhof G, Grubmüller H. Efficient Dynamic Protonation and Constant pH Simulations with Explicit Solvent: Calculation of Apparent pKa Values in Proteins Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.245 |
0.4 |
|
| 2012 |
Voß B, Peuker S, Kaupp UB, Grubmüller H. MloK1 Ligand Binding Simulations Indicate an Induced-Fit Mechanism Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2240 |
0.382 |
|
| 2012 |
Hoefling M, Grubmüller H. Computer Aided Distance Reconstruction in Single Molecule FRET Experiments through Combination with Dye Dynamics from Molecular Dynamics Simulations Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2205 |
0.354 |
|
| 2012 |
Inhester L, Groenhof G, Grubmüller H. Auger Spectrum of a Water Molecule after Single and Double Core-Ionization by Intense X-Ray Radiation Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.2141 |
0.343 |
|
| 2012 |
Zachariae U, Kutzner C, Grubmuller H, Groot Bd. Computational Electrophysiology Reveals Ion Channel Permeation in Atomistic Detail Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.147 |
0.316 |
|
| 2011 |
Buelens FP, Grubmüller H. Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry. 33: 25-33. PMID 21953650 DOI: 10.1002/Jcc.21938 |
0.315 |
|
| 2011 |
Seeliger D, Buelens FP, Goette M, Groot BLd, Grubmüller H. Towards computional specificity screening of DNA-binding proteins Nucleic Acids Research. 39: 8281-8290. PMID 21737424 DOI: 10.1093/Nar/Gkr531 |
0.323 |
|
| 2011 |
Donnini S, Tegeler F, Groenhof G, Grubmüller H. Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics. Journal of Chemical Theory and Computation. 7: 1962-1978. PMID 21687785 DOI: 10.1021/Ct200061R |
0.387 |
|
| 2011 |
Hoefling M, Lima N, Haenni D, Seidel CA, Schuler B, Grubmüller H. Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach. Plos One. 6: e19791. PMID 21629703 DOI: 10.1371/Journal.Pone.0019791 |
0.356 |
|
| 2011 |
Kutzner C, Czub J, Grubmüller H. Keep It Flexible: Driving Macromolecular Rotary Motions in Atomistic Simulations with GROMACS Journal of Chemical Theory and Computation. 7: 1381-1393. PMID 21566696 DOI: 10.1021/Ct100666V |
0.375 |
|
| 2011 |
De Jong DH, Schäfer LV, De Vries AH, Marrink SJ, Berendsen HJ, Grubmüller H. Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. Journal of Computational Chemistry. 32: 1919-28. PMID 21469160 DOI: 10.1002/Jcc.21776 |
0.403 |
|
| 2011 |
Risselada HJ, Kutzner C, Grubmüller H. Caught in the act: visualization of SNARE-mediated fusion events in molecular detail. Chembiochem. 12: 1049-1055. PMID 21433241 DOI: 10.1002/Cbic.201100020 |
0.306 |
|
| 2011 |
Kappel C, Grubmüller H. Velocity-Dependent Mechanical Unfolding of Bacteriorhodopsin Is Governed by a Dynamic Interaction Network Biophysical Journal. 100: 1109-1119. PMID 21320457 DOI: 10.1016/J.Bpj.2011.01.004 |
0.42 |
|
| 2011 |
Fengler SM, Grubmüller H. Estimating the Orientational Entropy of Water at Protein Interfaces Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.3530 |
0.313 |
|
| 2011 |
Donnini S, Tegeler F, Groenhof G, Grubmüller H. In Silico Titration of Biomolecules: Explicit Solvent Constant pH Molecular Dynamics Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.3529 |
0.402 |
|
| 2011 |
Sieben C, Kappel C, Wozniak A, Zhu R, Rankl C, Hinterdorfer P, Grubmüller H, Herrmann A. Influenza Virus Adhesion to Living Cells Measured by Single Virus Force Spectroscopy (SVFS) and Force Probe MD Simulation Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.330 |
0.395 |
|
| 2011 |
Voß B, Grubmüller H. MloK1 Ligand Binding Simulations: Induced Fit Versus Conformational Selection Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.2346 |
0.369 |
|
| 2011 |
Risselada HJ, Grubmüller H. Fast Roads and Dead Ends in SNARE-Dependent Membrane Fusion Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.1988 |
0.341 |
|
| 2011 |
Hoefling M, Lima N, Schuler B, Grubmüller H. Structural Heterogeneity and Quantitative Single Molecule FRET Efficiency Distributions of Polyproline Through a Hybrid Atomistic Simulation and Monte Carlo Approach Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.1173 |
0.346 |
|
| 2011 |
Hensen U, Meyer T, Haas J, Rex R, Grubmüller H. Dynasome: How Does Protein Structure and Function Relate to Dynamics? Biophysical Journal. 100: 1-1. DOI: 10.1016/J.Bpj.2010.12.1160 |
0.402 |
|
| 2011 |
Kappel C, Dölker N, Zink M, Zachariae U, Grubmüller H. Universal Non-Equilibrium Elastic Behavior of Macromolecules Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.1088 |
0.377 |
|
| 2011 |
Blau C, Groenhof G, Grubmüller H. Nucleotide Modifications Change tRNA Dynamics and Base Pairing Biophysical Journal. 100. DOI: 10.1016/J.Bpj.2010.12.1033 |
0.428 |
|
| 2010 |
Forwood JK, Lange A, Zachariae U, Marfori M, Preast C, Grubmüller H, Stewart M, Corbett AH, Kobe B. Quantitative structural analysis of importin-β flexibility: paradigm for solenoid protein structures. Structure (London, England : 1993). 18: 1171-83. PMID 20826343 DOI: 10.1016/J.Str.2010.06.015 |
0.389 |
|
| 2010 |
Kappel C, Zachariae U, Dölker N, Grubmüller H. An Unusual Hydrophobic Core Confers Extreme Flexibility to HEAT Repeat Proteins Biophysical Journal. 99: 1596-1603. PMID 20816072 DOI: 10.1016/J.Bpj.2010.06.032 |
0.422 |
|
| 2010 |
Bock LV, Hutchings B, Grubmüller H, Woodbury DJ. Chemomechanical regulation of SNARE proteins studied with molecular dynamics simulations. Biophysical Journal. 99: 1221-30. PMID 20713006 DOI: 10.1016/J.Bpj.2010.06.019 |
0.343 |
|
| 2010 |
Dölker N, Zachariae U, Grubmüller H. Hydrophilic linkers and polar contacts affect aggregation of FG repeat peptides. Biophysical Journal. 98: 2653-2661. PMID 20513410 DOI: 10.1016/J.Bpj.2010.02.049 |
0.375 |
|
| 2010 |
Nunes JM, Hensen U, Ge L, Lipinsky M, Helenius J, Grubmüller H, Muller DJ. A "Force Buffer" Protecting Immunoglobulin Titin** Angewandte Chemie. 49: 3528-3531. PMID 20354971 DOI: 10.1002/Anie.200906388 |
0.309 |
|
| 2010 |
Wolf MG, Hoefling M, Aponte-Santamaría C, Grubmüller H, Groenhof G. g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation. Journal of Computational Chemistry. 31: 2169-2174. PMID 20336801 DOI: 10.1002/Jcc.21507 |
0.342 |
|
| 2010 |
Brakemann T, Weber G, Andresen M, Groenhof G, Stiel AC, Trowitzsch S, Eggeling C, Grubmüller H, Hell SW, Wahl MC, Jakobs S. Molecular basis of the light-driven switching of the photochromic fluorescent protein padron Journal of Biological Chemistry. 285: 14603-14609. PMID 20236929 DOI: 10.1074/Jbc.M109.086314 |
0.347 |
|
| 2010 |
Hensen U, Lange OF, Grubmüller H. Estimating absolute configurational entropies of macromolecules: the minimally coupled subspace approach. Plos One. 5: e9179. PMID 20186277 DOI: 10.1371/Journal.Pone.0009179 |
0.332 |
|
| 2010 |
Zink M, Grubmüller H. Primary changes of the mechanical properties of southern bean mosaic virus upon calcium removal Biophysical Journal. 98: 687-695. PMID 20159165 DOI: 10.1016/J.Bpj.2009.10.047 |
0.371 |
|
| 2010 |
Dölker N, Grubmüller H. Squeezing through the Pore - Conformational Plasticity in Nuclear Import Biophysical Journal. 98. DOI: 10.1016/J.Bpj.2009.12.1675 |
0.321 |
|
| 2009 |
Goette M, Stumpe MC, Ficner R, Grubmüller H. Molecular Determinants of Snurportin 1 Ligand Affinity and Structural Response upon Binding Biophysical Journal. 97: 581-589. PMID 19619473 DOI: 10.1016/J.Bpj.2009.04.049 |
0.37 |
|
| 2009 |
Stumpe MC, Grubmüller H. Urea Impedes the Hydrophobic Collapse of Partially Unfolded Proteins Biophysical Journal. 96: 3744-3752. PMID 19413980 DOI: 10.1016/J.Bpj.2009.01.051 |
0.387 |
|
| 2009 |
Zink M, Grubmüller H. Mechanical properties of the icosahedral shell of southern bean mosaic virus: A molecular dynamics study Biophysical Journal. 96: 1350-1363. PMID 19217853 DOI: 10.1016/J.Bpj.2008.11.028 |
0.386 |
|
| 2009 |
Hub JS, Grubmüller H, Groot BLd. Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations Handbook of Experimental Pharmacology. 57-76. PMID 19096772 DOI: 10.1007/978-3-540-79885-9_3 |
0.404 |
|
| 2009 |
Goette M, Grubmüller H. Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes. Journal of Computational Chemistry. 30: 447-456. PMID 18677708 DOI: 10.1002/Jcc.21073 |
0.327 |
|
| 2009 |
Schäfer LV, Boggio-Pasqua M, Groenhof G, Grubmüller H, Marrink SJ, Robb MA. From fast light-activated processes in biomolecules to large-scale aggregation of membrane proteins: Molecular dynamics simulations at different time and length scales Chemistry Central Journal. 3. DOI: 10.1186/1752-153X-3-S1-P54 |
0.433 |
|
| 2009 |
Reinhard F, Lange OF, Hub JS, Haas J, Grubmüller H. g_permute: Permutation-reduced phase space density compaction ✩ Computer Physics Communications. 180: 455-458. DOI: 10.1016/J.Cpc.2008.10.018 |
0.353 |
|
| 2009 |
Hensen U, Grubmüller H, Lange OF. Adaptive anisotropic kernels for nonparametric estimation of absolute configurational entropies in high-dimensional configuration spaces. Physical Review E. 80: 11913. DOI: 10.1016/J.Bpj.2009.12.2088 |
0.301 |
|
| 2009 |
Puchner EM, Alexandrovich A, Kho AL, Hensen U, Schäfer LV, Brandmeier B, Gräter F, Grubmüller H, Gautel M, Gaub HE. Single-Molecule Force Spectroscopy Reveals the Function of Titin Kinase as Force Sensor Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.3401 |
0.64 |
|
| 2009 |
Kappel C, Grubmuller H. The Flexibility of Unbound Importin-beta studied by Molecular Dynamics Biophysical Journal. 96: 3-8. DOI: 10.1016/J.Bpj.2008.12.2833 |
0.344 |
|
| 2009 |
Blau C, Groenhof G, Grubmüller H. In Silico Examination Of The Influence Of Nucleotide Modifications And Magnesium Ions On tRNA Structure And Dynamics Biophysical Journal. 96. DOI: 10.1016/J.Bpj.2008.12.1501 |
0.341 |
|
| 2008 |
Woźniak AK, Schröder GF, Grubmüller H, Seidel CAM, Oesterhelt F. Single-molecule FRET measures bends and kinks in DNA Proceedings of the National Academy of Sciences of the United States of America. 105: 18337-18342. PMID 19020079 DOI: 10.1073/Pnas.0800977105 |
0.315 |
|
| 2008 |
Stumpe MC, Grubmüller H. Polar or apolar—The role of polarity for urea-induced protein denaturation. Plos Computational Biology. 4. PMID 19008937 DOI: 10.1371/Journal.Pcbi.1000221 |
0.418 |
|
| 2008 |
Puchner EM, Alexandrovich A, Kho AL, Hensen U, Schäfer LV, Brandmeier B, Gräter F, Grubmüller H, Gaub HE, Gautel M. Mechanoenzymatics of titin kinase. Proceedings of the National Academy of Sciences of the United States of America. 105: 13385-90. PMID 18765796 DOI: 10.1073/Pnas.0805034105 |
0.6 |
|
| 2008 |
Zachariae U, Grubmüller H. Importin-β: Structural and Dynamic Determinants of a Molecular Spring Structure. 16: 906-915. PMID 18547523 DOI: 10.1016/J.Str.2008.03.007 |
0.397 |
|
| 2008 |
Böckmann RA, Groot BLd, Kakorin S, Neumann E, Grubmüller H. Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophysical Journal. 95: 1837-1850. PMID 18469089 DOI: 10.1529/Biophysj.108.129437 |
0.371 |
|
| 2008 |
Schäfer LV, Groenhof G, Boggio-Pasqua M, Robb MA, Grubmüller H. Chromophore protonation state controls photoswitching of the fluoroprotein asFP595. Plos Computational Biology. 4: e1000034. PMID 18369426 DOI: 10.1371/Journal.Pcbi.1000034 |
0.358 |
|
| 2008 |
Müller EM, Hub JS, Grubmüller H, de Groot BL. Is TEA an inhibitor for human Aquaporin-1? PflüGers Archiv : European Journal of Physiology. 456: 663-9. PMID 18196268 DOI: 10.1007/S00424-007-0422-0 |
0.358 |
|
| 2008 |
Klyszejko AL, Shastri S, Mari SA, Grubmüller H, Muller DJ, Glaubitz C. Folding and Assembly of Proteorhodopsin Journal of Molecular Biology. 376: 35-41. PMID 18155728 DOI: 10.1016/J.Jmb.2007.11.030 |
0.306 |
|
| 2008 |
Lange OF, Grubmüller H. Full correlation analysis of conformational protein dynamics. Proteins. 70: 1294-312. PMID 17876828 DOI: 10.1002/Prot.21618 |
0.332 |
|
| 2008 |
Puchner EM, Alexandrovich A, Ay LK, Hensen U, Schäfer LV, Brandmeier B, Gräter F, Grubmüller H, Gaub HE, Gautel M. Mechanoenzymatics of titin kinase (Proceeding of the National Academy of Sciences of the United States of America (2008) 36, 105, (13285-13390) DOI:10.1073/pnas.0805024105) Proceedings of the National Academy of Sciences of the United States of America. 105: 21045. DOI: 10.1073/Pnas.0810209105 |
0.512 |
|
| 2007 |
Stumpe MC, Grubmüller H. Interaction of urea with amino acids: Implications for urea-induced protein denaturation Journal of the American Chemical Society. 129: 16126-16131. PMID 18047342 DOI: 10.1021/Ja076216J |
0.354 |
|
| 2007 |
Sieber JJ, Willig KI, Kutzner C, Gerding-Reimers C, Harke B, Donnert G, Rammner B, Eggeling C, Hell SW, Grubmüller H, Lang T. Anatomy and dynamics of a supramolecular membrane protein cluster. Science (New York, N.Y.). 317: 1072-6. PMID 17717182 DOI: 10.1126/Science.1141727 |
0.334 |
|
| 2007 |
Bouvier B, Grubmüller H. A molecular dynamics study of slow base flipping in DNA using conformational flooding. Biophysical Journal. 93: 770-86. PMID 17496048 DOI: 10.1529/Biophysj.106.091751 |
0.402 |
|
| 2007 |
Gräter F, Grubmüller H. Fluctuations of primary ubiquitin folding intermediates in a force clamp. Journal of Structural Biology. 157: 557-569. PMID 17306561 DOI: 10.1016/J.Jsb.2006.11.005 |
0.65 |
|
| 2007 |
Schäfer LV, Müller EM, Gaub HE, Grubmüller H. Elastic properties of photoswitchable azobenzene polymers from molecular dynamics simulations. Angewandte Chemie (International Ed. in English). 46: 2232-7. PMID 17300120 DOI: 10.1002/Anie.200604595 |
0.351 |
|
| 2007 |
Reinhard F, Grubmüller H. Estimation of absolute solvent and solvation shell entropies via permutation reduction. The Journal of Chemical Physics. 126: 014102. PMID 17212485 DOI: 10.1063/1.2400220 |
0.356 |
|
| 2007 |
Gräter F, Xu W, Leal W, Grubmüller H. Pheromone discrimination by the pheromone-binding protein of Bombyx mori. Structure (London, England : 1993). 14: 1577-86. PMID 17027506 DOI: 10.1016/J.Str.2006.08.013 |
0.568 |
|
| 2006 |
Lange OF, Grubmüller H. Can principal components yield a dimension reduced description of protein dynamics on long time scales? The Journal of Physical Chemistry. B. 110: 22842-52. PMID 17092036 DOI: 10.1021/Jp062548J |
0.382 |
|
| 2006 |
Gräter F, Groot BLd, Jiang H, Grubmüller H. Ligand-release pathways in the pheromone-binding protein of Bombyx mori. Structure. 14: 1567-1576. PMID 17027505 DOI: 10.1016/J.Str.2006.08.012 |
0.613 |
|
| 2006 |
Zachariae U, Grubmüller H. A highly strained nuclear conformation of the exportin Cse1p revealed by molecular dynamics simulations Structure. 14: 1469-1478. PMID 16962977 DOI: 10.1016/J.Str.2006.08.001 |
0.428 |
|
| 2006 |
Lange OF, Schäfer LV, Grubmüller H. Flooding in GROMACS: accelerated barrier crossings in molecular dynamics. Journal of Computational Chemistry. 27: 1693-702. PMID 16900489 DOI: 10.1002/Jcc.20473 |
0.391 |
|
| 2006 |
Lange OF, Grubmüller H. Collective Langevin dynamics of conformational motions in proteins. The Journal of Chemical Physics. 124: 214903. PMID 16774438 DOI: 10.1063/1.2199530 |
0.418 |
|
| 2006 |
Lange OF, Grubmüller H. Generalized correlation for biomolecular dynamics. Proteins. 62: 1053-61. PMID 16355416 DOI: 10.1002/Prot.20784 |
0.324 |
|
| 2005 |
Schröder GF, Alexiev U, Grubmüller H. Simulation of Fluorescence Anisotropy Experiments: Probing Protein Dynamics Biophysical Journal. 89: 3757-3770. PMID 16169987 DOI: 10.1529/Biophysj.105.069500 |
0.413 |
|
| 2005 |
Andresen M, Wahl MC, Stiel AC, Gräter F, Schäfer LV, Trowitzsch S, Weber G, Eggeling C, Grubmüller H, Hell SW, Jakobs S. Structure and mechanism of the reversible photoswitch of a fluorescent protein. Proceedings of the National Academy of Sciences of the United States of America. 102: 13070-4. PMID 16135569 DOI: 10.1073/Pnas.0502772102 |
0.594 |
|
| 2005 |
Heise H, Luca S, de Groot BL, Grubmüller H, Baldus M. Probing conformational disorder in neurotensin by two-dimensional solid-state NMR and comparison to molecular dynamics simulations. Biophysical Journal. 89: 2113-20. PMID 15994900 DOI: 10.1529/Biophysj.105.059964 |
0.422 |
|
| 2005 |
Grubmüller H. Force probe molecular dynamics simulations. Methods of Molecular Biology. 305: 493-515. PMID 15943012 DOI: 10.1007/978-1-59259-912-7_23 |
0.455 |
|
| 2005 |
Lange OF, Grubmüller H, de Groot BL. Molecular dynamics simulations of protein G challenge NMR-derived correlated backbone motions. Angewandte Chemie (International Ed. in English). 44: 3394-9. PMID 15912573 DOI: 10.1002/Anie.200462957 |
0.377 |
|
| 2005 |
Groot BLd, Grubmüller H. The dynamics and energetics of water permeation and proton exclusion in aquaporins. Current Opinion in Structural Biology. 15: 176-183. PMID 15837176 DOI: 10.1016/J.Sbi.2005.02.003 |
0.301 |
|
| 2005 |
Gräter F, Shen J, Jiang H, Gautel M, Grubmüller H. Mechanically induced titin kinase activation studied by force-probe molecular dynamics simulations Biophysical Journal. 88: 790-804. PMID 15531631 DOI: 10.1529/Biophysj.104.052423 |
0.612 |
|
| 2004 |
Jeney S, Stelzer EH, Grubmüller H, Florin EL. Mechanical properties of single motor molecules studied by three-dimensional thermal force probing in optical tweezers. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 5: 1150-8. PMID 15446737 DOI: 10.1002/Cphc.200301027 |
0.308 |
|
| 2004 |
Böckmann RA, Grubmüller H. Multistep binding of divalent cations to phospholipid bilayers: a molecular dynamics study. Angewandte Chemie. 43: 1021-1024. PMID 14966897 DOI: 10.1002/Anie.200352784 |
0.363 |
|
| 2004 |
Schröder GF, Grubmüller H. FRETsg: Biomolecular structure model building from multiple FRET experiments Computer Physics Communications. 158: 150-157. DOI: 10.1016/J.Cpc.2004.02.001 |
0.361 |
|
| 2004 |
Böckmann RA, Grubmüller H. Cover Picture: Multistep Binding of Divalent Cations to Phospholipid Bilayers: A Molecular Dynamics Study (Angew. Chem. Int. Ed. 8/2004) Angewandte Chemie. 43: 911-911. DOI: 10.1002/Anie.200490018 |
0.37 |
|
| 2003 |
Groot BLd, Frigato T, Helms V, Grubmüller H. The mechanism of proton exclusion in the aquaporin-1 water channel Journal of Molecular Biology. 333: 279-293. PMID 14529616 DOI: 10.1016/J.Jmb.2003.08.003 |
0.354 |
|
| 2003 |
Böckmann RA, Hac A, Heimburg T, Grubmüller H. Effect of sodium chloride on a lipid bilayer. Biophysical Journal. 85: 1647-55. PMID 12944279 DOI: 10.1016/S0006-3495(03)74594-9 |
0.357 |
|
| 2003 |
Böckmann RA, Grubmüller H. Conformational Dynamics of the F1-ATPase β-Subunit: A Molecular Dynamics Study Biophysical Journal. 85: 1482-1491. PMID 12944266 DOI: 10.1016/S0006-3495(03)74581-0 |
0.334 |
|
| 2003 |
Knecht V, Grubmüller H. Mechanical coupling via the membrane fusion SNARE protein syntaxin 1A: A molecular dynamics study Biophysical Journal. 84: 1527-1547. PMID 12609859 DOI: 10.1016/S0006-3495(03)74965-0 |
0.357 |
|
| 2003 |
de Groot BL, Engel A, Grubmüller H. The structure of the aquaporin-1 water channel: a comparison between cryo-electron microscopy and X-ray crystallography. Journal of Molecular Biology. 325: 485-93. PMID 12498798 DOI: 10.1016/S0022-2836(02)01233-0 |
0.301 |
|
| 2002 |
Rief M, Grubmüller H. Force spectroscopy of single biomolecules. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 3: 255-61. PMID 12503171 DOI: 10.1002/1439-7641(20020315)3:3<255::Aid-Cphc255>3.0.Co;2-M |
0.411 |
|
| 2002 |
Werten PJ, Rémigy HW, de Groot BL, Fotiadis D, Philippsen A, Stahlberg H, Grubmüller H, Engel A. Progress in the analysis of membrane protein structure and function. Febs Letters. 529: 65-72. PMID 12354615 DOI: 10.1016/S0014-5793(02)03290-8 |
0.348 |
|
| 2002 |
Groot BLd, Tieleman DP, Pohl P, Grubmüller H. Water permeation through gramicidin A: desformylation and the double helix: a molecular dynamics study. Biophysical Journal. 82: 2934-2942. PMID 12023216 DOI: 10.1016/S0006-3495(02)75634-8 |
0.387 |
|
| 2002 |
Böckmann RA, Grubmüller H. Nanoseconds molecular dynamics simulation of primary mechanical energy transfer steps in F-1-ATP synthase Nature Structural & Molecular Biology. 9: 198-202. PMID 11836535 DOI: 10.1038/Nsb760 |
0.376 |
|
| 2002 |
Müller EM, Meijere Ad, Grubmüller H. Predicting unimolecular chemical reactions: Chemical flooding Journal of Chemical Physics. 116: 897-905. DOI: 10.1063/1.1427722 |
0.338 |
|
| 2001 |
de Groot BL, Engel A, Grubmüller H. A refined structure of human aquaporin-1. Febs Letters. 504: 206-11. PMID 11532455 DOI: 10.1016/S0014-5793(01)02743-0 |
0.33 |
|
| 2001 |
Heymann B, Grubmüller H. Molecular dynamics force probe simulations of antibody/antigen unbinding: Entropic control and nonadditivity of unbinding forces Biophysical Journal. 81: 1295-1313. PMID 11509346 DOI: 10.1016/S0006-3495(01)75787-6 |
0.422 |
|
| 2000 |
Heymann B, Grubmüller H. Dynamic force spectroscopy of molecular adhesion bonds Physical Review Letters. 84: 6126-6129. PMID 10991140 DOI: 10.1103/Physrevlett.84.6126 |
0.361 |
|
| 1999 |
Heymann B, Grubmüller H. Elastic properties of poly(ethylene-glycol) studied by molecular dynamics stretching simulations Chemical Physics Letters. 307: 425-432. DOI: 10.1016/S0009-2614(99)00531-X |
0.413 |
|
| 1999 |
Heymann B, Grubmüller H. ’Chair-boat‘ transitions and side groups affect the stiffness of polysaccharides. Chemical Physics Letters. 305: 202-208. DOI: 10.1016/S0009-2614(99)00388-7 |
0.308 |
|
| 1999 |
Heymann B, Grubmüller H. AN02/DNP-hapten unbinding forces studied by molecular dynamics atomic force microscopy simulations. Chemical Physics Letters. 303: 1-9. DOI: 10.1016/S0009-2614(99)00183-9 |
0.354 |
|
| 1998 |
Grubmüller H, Tavan P. Multiple Time Step Algorithms for Molecular Dynamics Simulations of Proteins: How Good Are They? Journal of Computational Chemistry. 19: 1534-1552. DOI: 10.1002/(Sici)1096-987X(199810)19:13<1534::Aid-Jcc10>3.0.Co;2-I |
0.655 |
|
| 1997 |
Eichinger M, Grubmüller H, Heller H, Tavan P. FAMUSAMM: An algorithm for rapid evaluation of electrostatic interactions in molecular dynamics simulations. Journal of Computational Chemistry. 18: 1729-1749. DOI: 10.1002/(Sici)1096-987X(19971115)18:14<1729::Aid-Jcc3>3.0.Co;2-M/Pdf |
0.672 |
|
| 1996 |
Grubmüller H, Heymann B, Tavan P. Ligand binding: Molecular mechanics calculation of the streptavidin-biotin rupture force Science. 271: 997-999. PMID 8584939 DOI: 10.1126/Science.271.5251.997 |
0.666 |
|
| 1995 |
Grubmüller H. Predicting slow structural transitions in macromolecular systems: Conformational flooding. Physical Review E. 52: 2893-2906. PMID 9963736 DOI: 10.1103/Physreve.52.2893 |
0.403 |
|
| 1994 |
Grubmüller H, Tavan P. Molecular dynamics of conformational substates for a simplified protein model Journal of Chemical Physics. 101: 5047-5057. DOI: 10.1063/1.467427 |
0.662 |
|
| 1991 |
Grubmüller H, Heller H, Windemuth A, Schulten K. Generalized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range Interactions Molecular Simulation. 6: 121-142. DOI: 10.1080/08927029108022142 |
0.506 |
|
| 1990 |
Heller H, Grubmüller H, Schulten K. Molecular dynamics simulation on a parallel computer. Molecular Simulation. 5: 133-165. DOI: 10.1080/08927029008022127 |
0.516 |
|
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