Showing results (231-240 of 483) with videos related to

Sort By:
Pageof 49
Journal of Chemical Information and Modeling|August 2, 2022
Preserving the Integrity of Empirical Force FieldsAsuka A Orr, Suliman Sharif, Junmei Wang, et al.
Journal of Chemical Theory and Computation|April 30, 2021
Functional Group Distributions, Partition Coefficients, and Resistance Factors in Lipid Bilayers Using Site Identification by Ligand Competitive SaturationChristoffer Lind, Poonam Pandey, Richard W Pastor, et al.
Journal of Chemical Information and Modeling|April 5, 2011
Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulationsE Prabhu Raman, Wenbo Yu, Olgun Guvench, et al.
Molecular Pharmaceutics|October 14, 2010
Structural determinants for transport across the intestinal bile acid transporter using C-24 bile acid conjugatesRana Rais, Chayan Acharya, Alexander D Mackerell, et al.
Journal of Computational Chemistry|December 1, 2012
(Ala)(4)-X-(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side-chain dihedral empirical force field parametersJihyun Shim, Xiao Zhu, Robert B Best, et al.
Chemical Research in Toxicology|May 22, 2013
Structure and thermodynamic insights on acetylaminofluorene-modified deletion DNA duplexes as models for frameshift mutagenesisAnusha Sandineni, Bin Lin, Alexander D MacKerell, et al.
Chemical Reviews|January 28, 2016
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsJustin A Lemkul, Jing Huang, Benoît Roux, et al.
Biophysical Journal|November 6, 2007
Is arginine charged in a membrane?Libo Li, Igor Vorobyov, Alexander D MacKerell, et al.
Methods in Molecular Biology (Clifton, N.J.)|March 11, 2015
Molecular dynamics simulations of glycoproteins using CHARMMSairam S Mallajosyula, Sunhwan Jo, Wonpil Im, et al.
Molecular Pharmaceutics|April 5, 2023
Site Identification by Ligand Competitive Saturation-Biologics Approach for Structure-Based Protein Charge PredictionAsuka A Orr, Aoxiang Tao, Olgun Guvench, et al.
Pageof 49