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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 MerzBioorganic & Medicinal Chemistry|July 19, 2016
First principles model calculations of the biosynthetic pathway in selinadiene synthaseSusanta Das, Mudit Dixit, Dan Thomas MajorBiochemistry|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 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 MerzBiochemistry|October 7, 2010
Finding a needle in the haystack: computational modeling of Mg2+ binding in the active site of protein farnesyltransferaseYue Yang, Dhruva K Chakravorty, Kenneth M MerzActa Crystallographica. Section D, Biological Crystallography|March 1, 2005
Refinement of protein crystal structures using energy restraints derived from linear-scaling quantum mechanicsNing Yu, Hemant P Yennawar, Kenneth M MerzPageof 25