Year |
Citation |
Score |
2023 |
Faruk NF, Peng X, Sosnick TR. Factors That Control the Force Needed to Unfold a Membrane Protein in Silico Depend on the Mode of Denaturation. International Journal of Molecular Sciences. 24. PMID 36768981 DOI: 10.3390/ijms24032654 |
0.681 |
|
2022 |
Faruk NF, Peng X, Freed KF, Roux B, Sosnick TR. Challenges and Advantages of Accounting for Backbone Flexibility in Prediction of Protein-Protein Complexes. Journal of Chemical Theory and Computation. 18: 2016-2032. PMID 35213808 DOI: 10.1021/acs.jctc.1c01255 |
0.678 |
|
2022 |
Gaffney KA, Guo R, Bridges MD, Muhammednazaar S, Chen D, Kim M, Yang Z, Schilmiller AL, Faruk NF, Peng X, Jones AD, Kim KH, Sun L, Hubbell WL, Sosnick TR, et al. Lipid bilayer induces contraction of the denatured state ensemble of a helical-bundle membrane protein. Proceedings of the National Academy of Sciences of the United States of America. 119. PMID 34969836 DOI: 10.1073/pnas.2109169119 |
0.689 |
|
2021 |
Peng X, Baxa M, Faruk N, Sachleben JR, Pintscher S, Gagnon IA, Houliston S, Arrowsmith CH, Freed KF, Rocklin GJ, Sosnick TR. Prediction and Validation of a Protein's Free Energy Surface Using Hydrogen Exchange and (Importantly) Its Denaturant Dependence. Journal of Chemical Theory and Computation. PMID 34936354 DOI: 10.1021/acs.jctc.1c00960 |
0.561 |
|
2021 |
Wang A, Peng X, Li Y, Zhang D, Zhang Z, Li G. Quality of force fields and sampling methods in simulating pepX peptides: a case study for intrinsically disordered proteins. Physical Chemistry Chemical Physics : Pccp. PMID 33459730 DOI: 10.1039/d0cp05484d |
0.318 |
|
2018 |
Peng X, Zhang Y, Li Y, Liu Q, Chu H, Zhang D, Li G. Integrating Multiple Accelerated Molecular Dynamics to Improve Accuracy of Free Energy Calculation. Journal of Chemical Theory and Computation. PMID 29394067 DOI: 10.1021/Acs.Jctc.7B01211 |
0.335 |
|
2017 |
Chu H, Peng X, Li Y, Zhang Y, Li G. A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids. Molecules (Basel, Switzerland). 23. PMID 29301229 DOI: 10.3390/Molecules23010077 |
0.326 |
|
2016 |
Peng X, Zhang Y, Chu H, Li Y, Zhang D, Cao L, Li G. Accurate evaluation of ion conductivity of gramicidin A channel using polarizable force field without any corrections. Journal of Chemical Theory and Computation. PMID 27171823 DOI: 10.1021/Acs.Jctc.6B00128 |
0.336 |
|
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