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Journal of Computational Chemistry|October 24, 2002
Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenemDimas Suárez, Natalia Díaz, Kenneth M MerzMethods in Enzymology|September 4, 2023
Getting zinc into and out of cellsGaurav Sharma, Majid Jafari, Kenneth M MerzProtein Science : a Publication of the Protein Society|June 26, 2009
Blind docking of pharmaceutically relevant compounds using RosettaLigandIan W Davis, Kaushik Raha, Martha S Head, et al.Biochemistry|May 23, 2002
Insights into the structure and dynamics of the dinuclear zinc beta-lactamase site from Bacteroides fragilisDimas Suárez, Edward N Brothers, Kenneth M MerzPhysical Chemistry Chemical Physics : PCCP|March 2, 2012
Statistics-based model for basis set superposition error correction in large biomoleculesJohn C Faver, Zheng Zheng, Kenneth M MerzJournal of Chemical Theory and Computation|September 23, 2021
FFENCODER-PL: Pair Wise Energy Descriptors for Protein-Ligand Pose SelectionJun Pei, Lin Frank Song, Kenneth M MerzJournal of Chemical Theory and Computation|November 18, 2015
Systematic Parameterization of Monovalent Ions Employing the Nonbonded ModelPengfei Li, Lin Frank Song, Kenneth M MerzAnalytical Chemistry|July 2, 2020
Metabolite Structure Assignment Using In Silico NMR TechniquesSusanta Das, Arthur S Edison, Kenneth M MerzThe Journal of Physical Chemistry. A|August 21, 2009
Assessment of the CCSD and CCSD(T) coupled-cluster methods in calculating heats of formation for Zn complexesMichael N Weaver, Yue Yang, Kenneth M MerzCurrent Opinion in Structural Biology|July 2, 2022
Computer-aided drug design, quantum-mechanical methods for biological problemsMadushanka Manathunga, Andreas W Götz, Kenneth M MerzPageof 24