Showing results (181-190 of 483) with videos related to
Sort By:
Pageof 49
Current Drug Targets. Infectious Disorders|December 5, 2002
Structure-based inhibitor design targeting HIV-1 integraseI-Jen Chen, Nouri Neamati, Alexander D MacKerellJournal of Chemical Theory and Computation|August 1, 2022
SILCS-RNA: Toward a Structure-Based Drug Design Approach for Targeting RNAs with Small MoleculesAbhishek A Kognole, Anthony Hazel, Alexander D MacKerellMethods in Molecular Biology (Clifton, N.J.)|November 29, 2022
Computer-Aided Drug Design: An UpdateWenbo Yu, David J Weber, Alexander D MacKerellJournal of Chemical Theory and Computation|April 26, 2018
CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and FuranosesAsaminew H Aytenfisu, Mingjun Yang, Alexander D MacKerellBMC Structural Biology|March 24, 2007
Tyr66 acts as a conformational switch in the closed-to-open transition of the SHP-2 N-SH2-domain phosphotyrosine-peptide binding cleftOlgun Guvench, Cheng-Kui Qu, Alexander D MacKerellMini Reviews in Medicinal Chemistry|June 23, 2007
A search for inhibitors of S100B, a member of the S100 family of calcium-binding proteinsJoseph Markowitz, Alexander D MacKerell, David J WeberThe Journal of Physical Chemistry. B|August 20, 2014
Perturbation of long-range water dynamics as the mechanism for the antifreeze activity of antifreeze glycoproteinSairam S Mallajosyula, Kenno Vanommeslaeghe, Alexander D MacKerellThe Journal of Physical Chemistry. B|February 26, 2014
Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillatorDhilon S Patel, Xibing He, Alexander D MacKerellJournal of Chemical Theory and Computation|November 13, 2012
Site-Specific Fragment Identification Guided by Single-Step Free Energy Perturbation CalculationsE Prabhu Raman, Kenno Vanommeslaeghe, Alexander D MackerellCurrent Topics in Medicinal Chemistry|February 3, 2007
Computational identification of inhibitors of protein-protein interactionsShijun Zhong, Alba T Macias, Alexander D MacKerellPageof 49