Showing results (1-10 of 28) with videos related to
Sort By:
Pageof 3
Journal of Chemical Information and Modeling|September 29, 2007
Binding response: a descriptor for selecting ligand binding site on protein surfacesShijun Zhong, Alexander D MacKerellMolecular Diversity|October 16, 2021
Discovery of inhibitors targeting protein tyrosine phosphatase 1B using a combined virtual screening approachDan Zhao, Lu Sun, Shijun ZhongJournal of Molecular Modeling|April 24, 2015
How Y357F, Y276F mutants affect the methylation activity of PRDM9: QM/MM MD and free energy simulationsYuzhuo Chu, Lu Sun, Shijun ZhongJournal of Molecular Modeling|May 9, 2021
Evaluating the covalent binding of carbapenems on BlaC using noncovalent interactionsLu Sun, Hongjun Fan, Shijun ZhongCurrent Opinion in Drug Discovery & Development|May 6, 2010
Rescoring ligand docking posesShijun Zhong, Youping Zhang, Zhilong XiuCurrent Topics in Medicinal Chemistry|February 3, 2007
Computational identification of inhibitors of protein-protein interactionsShijun Zhong, Alba T Macias, Alexander D MacKerellThe Journal of Chemical Physics|December 3, 2008
Uniformly convergent n-tuple-zeta augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energiesShijun Zhong, Ericka C Barnes, George A PeterssonPhysical Chemistry Chemical Physics : PCCP|October 1, 2021
Divide-and-link peptide docking: a fragment-based peptide docking protocolLu Sun, Tingting Fu, Dan Zhao, et al.Molecular Diversity|February 24, 2024
Multi-method computational evaluation of the inhibitors against leucine-rich repeat kinase 2 G2019S mutant for Parkinson's diseaseAhmed Elhadi, Dan Zhao, Noman Ali, et al.Journal of Natural Products|July 14, 2026
Nigroepocins A-D: Antifungal Polyketides from Nigrospora sp. SN56127 with Activity against Fusarium graminearumShijun Zhong, Jiajun Chen, Huiyuan Yu, et al.Pageof 3