Kirstin A. Walther, Ph.D. - Related publications

Affiliations: 
Columbia University, New York, NY 
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50 most relevant papers in past 60 days:
Year Citation  Score
2020 Tang WS, Fawzi NL, Mittal J. Refining All-Atom Protein Force Fields for Polar-Rich, Prion-like, Low-Complexity Intrinsically Disordered Proteins. The Journal of Physical Chemistry. B. PMID 33078950 DOI: 10.1021/acs.jpcb.0c07545   
2020 Bergues-Pupo AE, Lipowsky R, Vila Verde A. Unfolding mechanism and free energy landscape of single, stable, alpha helices at low pull speeds. Soft Matter. PMID 33030193 DOI: 10.1039/d0sm01166e   
2020 Heilmann N, Wolf M, Kozlowska M, Sedghamiz E, Setzler J, Brieg M, Wenzel W. Sampling of the conformational landscape of small proteins with Monte Carlo methods. Scientific Reports. 10: 18211. PMID 33097750 DOI: 10.1038/s41598-020-75239-7   
2020 Yu M, Zhao Z, Chen Z, Le S, Yan J. Modulating mechanical stability of heterodimerization between engineered orthogonal helical domains. Nature Communications. 11: 4476. PMID 32900995 DOI: 10.1038/s41467-020-18323-w   
2020 Campos LA, Sadqi M, Muñoz V. Lessons about Protein Folding and Binding from Archetypal Folds. Accounts of Chemical Research. PMID 32914959 DOI: 10.1021/acs.accounts.0c00322   
2020 Kirmizialtin S, Pitici F, Cardenas AE, Elber R, Thirumalai D. Dramatic Shape Changes Occur as Cytochrome Folds. The Journal of Physical Chemistry. B. PMID 32840372 DOI: 10.1021/acs.jpcb.0c05802   
2020 Sala BM, Le Marchand T, Pintacuda G, Camilloni C, Natalello A, Ricagno S. Conformational Stability and Dynamics in Crystals Recapitulate Protein Behavior in Solution. Biophysical Journal. 119: 978-988. PMID 32758421 DOI: 10.1016/j.bpj.2020.07.015   
2020 Kuhar N, Umapathy S. Probing the stepwise unfolding of bovine serum albumin using 2D correlation Raman spectroscopic analysis. Analytical Chemistry. PMID 32865392 DOI: 10.1021/acs.analchem.0c02968   
2020 Mendelman N, Zerbetto M, Buck M, Meirovitch E. Conformational Entropy from Mobile Bond Vectors in Proteins: A Viewpoint that Unifies NMR-Relaxation-Theory and Molecular-Dynamics-Simulation Approaches. The Journal of Physical Chemistry. B. PMID 32981310 DOI: 10.1021/acs.jpcb.0c05846   
2020 Subramanian S, Golla H, Divakar K, Kannan A, De Sancho D, Naganathan AN. Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape? The Journal of Physical Chemistry. B. PMID 32955882 DOI: 10.1021/acs.jpcb.0c05976   
2020 Chakravorty A, Higham J, Henchman RH. Entropy of Proteins Using Multiscale Cell Correlation. Journal of Chemical Information and Modeling. PMID 32955869 DOI: 10.1021/acs.jcim.0c00611   
2020 Chen X, Rajasekaran N, Liu K, Kaiser CM. Synthesis runs counter to directional folding of a nascent protein domain. Nature Communications. 11: 5096. PMID 33037221 DOI: 10.1038/s41467-020-18921-8   
2020 Cheng Y, Zhang Y, Gong Z, Zhang XH, Li Y, Shi X, Pei Y, You H. High Mechanical Stability and Slow Unfolding Rates Are Prevalent in Parallel-Stranded DNA G-Quadruplexes. The Journal of Physical Chemistry Letters. PMID 32885976 DOI: 10.1021/acs.jpclett.0c02229   
2020 Younas T, Vidallon MLP, Tabor RF, He L. Open-Closed Structure of Light Responsive Protein LOV2 Regulates its Molecular Interaction with Binding Partner. The Journal of Physical Chemistry Letters. PMID 32945680 DOI: 10.1021/acs.jpclett.0c02252   
2020 Nandi T, Desai A, Ainavarapu SRK. The unfolding transition state of ubiquitin with charged residues has higher energy than that with hydrophobic residues. Physical Chemistry Chemical Physics : Pccp. PMID 33026000 DOI: 10.1039/d0cp03876h   
2020 Neelamraju S, Wales DJ, Gosavi S. Protein energy landscape exploration with structure-based models. Current Opinion in Structural Biology. 64: 145-151. PMID 32795948 DOI: 10.1016/j.sbi.2020.07.003   
2020 Stojanovski BM, Pelc LA, Zuo X, Di Cera E. Zymogen and activated protein C have similar structural architecture. The Journal of Biological Chemistry. PMID 32855236 DOI: 10.1074/jbc.RA120.014789   
2020 Nagpal S, Luong TDN, Sadqi M, Muñoz V. Downhill (Un)Folding Coupled to Binding as a Mechanism for Engineering Broadband Protein Conformational Transducers. Acs Synthetic Biology. 9: 2427-2439. PMID 32822536 DOI: 10.1021/acssynbio.0c00190   
2020 Goldsztejn G, Mundlapati VR, Brenner V, Gloaguen E, Mons M, Cabezas C, León I, Alonso JL. Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the -SH group. Physical Chemistry Chemical Physics : Pccp. 22: 20284-20294. PMID 32966425 DOI: 10.1039/d0cp03136d   
2020 Zhang S, Gan R, Zhao L, Sun Q, Xiang H, Xiang X, Zhao G, Li H. Unveiling the interaction mechanism of alogliptin benzoate with human serum albumin: Insights from spectroscopy, microcalorimetry, and molecular docking and molecular dynamics analyses. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 246: 119040. PMID 33068900 DOI: 10.1016/j.saa.2020.119040   
2020 Maffucci I, Laage D, Stirnemann G, Sterpone F. Differences in thermal structural changes and melting between mesophilic and thermophilic dihydrofolate reductase enzymes. Physical Chemistry Chemical Physics : Pccp. 22: 18361-18373. PMID 32789320 DOI: 10.1039/d0cp02738c   
2020 Yoder N, Jalali-Yazdi F, Noreng S, Houser A, Baconguis I, Gouaux E. Light-coupled cryo-plunger for time-resolved cryo-EM. Journal of Structural Biology. 212: 107624. PMID 32950604 DOI: 10.1016/j.jsb.2020.107624   
2020 Pal S, Banerjee S, Prabhakaran EN. Helix-Coil Transition at a Glycine Following a Nascent α-Helix: A Synergetic Guidance Mechanism for Helix Growth. The Journal of Physical Chemistry. A. PMID 32877193 DOI: 10.1021/acs.jpca.0c05489   
2020 Hinostroza F, Neely A, Araya-Duran I, Marabolí V, Canan J, Rojas M, Aguayo D, Latorre R, González-Nilo FD, Cárdenas AM. Dynamin-2 R465W mutation induces long range perturbation in highly ordered oligomeric structures. Scientific Reports. 10: 18151. PMID 33097808 DOI: 10.1038/s41598-020-75216-0   
2020 Roy P, Roy S, Sengupta N. Disulfide Reduction Allosterically Destabilizes the β-Ladder Subdomain Assembly within the NS1 Dimer of ZIKV. Biophysical Journal. PMID 32946768 DOI: 10.1016/j.bpj.2020.08.036   
2020 Michael E, Polydorides S, Simonson T, Archontis G. Hybrid MC/MD for protein design. The Journal of Chemical Physics. 153: 054113. PMID 32770896 DOI: 10.1063/5.0013320   
2020 Chrabąszczewska M, Sieradzan AK, Rodziewicz-Motowidło S, Grubb A, Dobson CM, Kumita JR, Kozak M. Structural Characterization of Covalently Stabilized Human Cystatin C Oligomers. International Journal of Molecular Sciences. 21. PMID 32824145 DOI: 10.3390/ijms21165860   
2020 Fenner K, Redgate A, Brancaleon L. A 200 nanoseconds all-atom simulation of the pH-dependent EF loop transition in bovine β-lactoglobulin. The role of the orientation of the E89 side chain. Journal of Biomolecular Structure & Dynamics. 1-16. PMID 32909899 DOI: 10.1080/07391102.2020.1817785   
2020 Zhao Y, Zhao Y, Peng B, Zhang L. Dynamic behavior of biomaterials uncovered by cryo-electron microscopy. Combinatorial Chemistry & High Throughput Screening. PMID 33019925 DOI: 10.2174/1386207323666201005100653   
2020 Sindhikara D, Wagner M, Gkeka P, Güssregen S, Tiwari G, Hessler G, Yapici E, Li Z, Evers A. Automated Design of Macrocycles for Therapeutic Applications: From Small Molecules to Peptides and Proteins. Journal of Medicinal Chemistry. PMID 33017535 DOI: 10.1021/acs.jmedchem.0c01500   
2020 Chen M, Chen X, Jin S, Lu W, Lin X, Wolynes PG. Protein Structure Refinement Guided by Atomic Packing Frustration Analysis. The Journal of Physical Chemistry. B. PMID 32931278 DOI: 10.1021/acs.jpcb.0c06719   
2020 Chen M, Chen X, Jin S, Lu W, Lin X, Wolynes PG. Protein Structure Refinement Guided by Atomic Packing Frustration Analysis. The Journal of Physical Chemistry. B. PMID 32931278 DOI: 10.1021/acs.jpcb.0c06719   
2020 Aoki-Shioi N, Jobichen C, Sivaraman J, Kini RM. Unusual quaternary structure of a homodimeric synergistic-type toxin from mamba snake venom defines its molecular evolution. The Biochemical Journal. PMID 33000863 DOI: 10.1042/BCJ20200529   
2020 Stylianakis I, Shalev A, Scheiner S, Sigalas MP, Arkin IT, Glykos N, Kolocouris A. The balance between side-chain and backbone-driven association in folding of the α-helical influenza A transmembrane peptide. Journal of Computational Chemistry. PMID 32735736 DOI: 10.1002/jcc.26381   
2020 Barozet A, Bianciotto M, Vaisset M, Siméon T, Minoux H, Cortés J. Protein loops with multiple meta-stable conformations: a challenge for sampling and scoring methods. Proteins. PMID 32920900 DOI: 10.1002/prot.26008   
2020 Di Lena P, Baldi P. Fold recognition by scoring protein maps using the congruence coefficient. Bioinformatics (Oxford, England). PMID 32976564 DOI: 10.1093/bioinformatics/btaa833   
2020 Kamalesh D, Nair A, Sreeshma J, Arundhathi PS, Sudandiradoss C. Statistical and molecular dynamics (MD) simulation approach to investigate the role of intrinsically disordered regions of shikimate dehydrogenase in microorganisms surviving at different temperatures. Extremophiles : Life Under Extreme Conditions. PMID 32975630 DOI: 10.1007/s00792-020-01198-6   
2020 Plaks JG, Brewer JA, Jacobsen NK, McKenna M, Uzarski JR, Lawton TJ, Filocamo SF, Kaar JL. Rosetta-enabled Structural Prediction of Permissive Loop Insertion Sites in Proteins. Biochemistry. PMID 32970423 DOI: 10.1021/acs.biochem.0c00533   
2020 Ou X, Xue B, Lao Y, Wutthinitikornkit Y, Tian R, Zou A, Yang L, Wang W, Cao Y, Li J. Structure and sequence features of mussel adhesive protein lead to its salt-tolerant adhesion ability. Science Advances. 6. PMID 32978166 DOI: 10.1126/sciadv.abb7620   
2020 Iuliano JN, Tolentino Collado J, Gil AA, Ravindran PT, Lukacs A, Shin S, Woroniecka HA, Adamczyk K, Aramini JM, Edupuganti UR, Hall CR, Greetham GM, Sazanovich IV, Clark IP, Daryaee T, et al. Unraveling the Mechanism of a LOV Domain Optogenetic Sensor: A Glutamine Lever Induces Unfolding of the Jα Helix. Acs Chemical Biology. PMID 32880430 DOI: 10.1021/acschembio.0c00543   
2020 Maksimov EG, Laptev GY, Blokhin DS, Klochkov VV, Slonimskiy YB, Sluchanko NN, Friedrich T, Chang CF, Polshakov VI. NMR resonance assignment and backbone dynamics of a C-terminal domain homolog of orange carotenoid protein. Biomolecular Nmr Assignments. PMID 32939684 DOI: 10.1007/s12104-020-09976-1   
2020 Scull NW, Lucius AL. Kinetic Analysis of AAA+ Translocases by Combined Fluorescence and Anisotropy Methods. Biophysical Journal. 119: 1335-1350. PMID 32997959 DOI: 10.1016/j.bpj.2020.08.018   
2020 Chen Z, Huang J, Pu H, Qi Y, Fang C, Shu G. Analysis of the complexation process between starch molecules and trilinolenin. International Journal of Biological Macromolecules. PMID 32987075 DOI: 10.1016/j.ijbiomac.2020.09.139   
2020 Singewald K, Bogetti X, Sinha K, Rule G, Saxena SK. Double Histidine based EPR measurements at physiological temperatures permit site-specific elucidation of hidden dynamics in enzymes. Angewandte Chemie (International Ed. in English). PMID 32910837 DOI: 10.1002/anie.202009982   
2020 Sánchez Rodríguez F, Simpkin AJ, Davies OR, Keegan RM, Rigden DJ. Helical ensembles outperform ideal helices in molecular replacement. Acta Crystallographica. Section D, Structural Biology. 76: 962-970. PMID 33021498 DOI: 10.1107/S205979832001133X   
2020 Kaur N, Sagar A, Sharma P, Ashish, Pati PK. Structural insights into rice SalTol QTL located SALT protein. Scientific Reports. 10: 16589. PMID 33024209 DOI: 10.1038/s41598-020-73517-y   
2020 Gosu V, Shin D, Song KD, Heo J, Oh JD. Molecular modeling and dynamic simulation of chicken Mx protein with the S631N polymorphism. Journal of Biomolecular Structure & Dynamics. 1-10. PMID 32962555 DOI: 10.1080/07391102.2020.1819419   
2020 Teng FY, Jiang ZZ, Huang LY, Guo M, Chen F, Hou XM, Xi XG, Xu Y. A Toolbox for Site-Specific Labeling of RecQ Helicase With a Single Fluorophore Used in the Single-Molecule Assay. Frontiers in Molecular Biosciences. 7: 586450. PMID 33102530 DOI: 10.3389/fmolb.2020.586450   
2020 Bozovic O, Zanobini C, Gulzar A, Jankovic B, Buhrke D, Post M, Wolf S, Stock G, Hamm P. Real-time observation of ligand-induced allosteric transitions in a PDZ domain. Proceedings of the National Academy of Sciences of the United States of America. PMID 33020277 DOI: 10.1073/pnas.2012999117   
2020 Santoro AM, D'Urso A, Cunsolo A, Milardi D, Purrello R, Sbardella D, Tundo GR, Diana D, Fattorusso R, Dato AD, Paladino A, Persico M, Coletta M, Fattorusso C. Cooperative Binding of the Cationic Porphyrin Tris-T4 Enhances Catalytic Activity of 20S Proteasome Unveiling a Complex Distribution of Functional States. International Journal of Molecular Sciences. 21. PMID 33003385 DOI: 10.3390/ijms21197190