Showing results (91-100 of 1,784) with videos related to
Sort By:
Pageof 179
Journal 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 MerzThe Journal of Physical Chemistry. B|May 4, 2007
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase IIKevin E Riley, Guanglei Cui, Kenneth M MerzJournal of Chemical Theory and Computation|February 19, 2014
The Movable Type Method Applied to Protein-Ligand BindingZheng Zheng, Melek N Ucisik, Kenneth M MerzJournal of Inorganic Biochemistry|February 2, 2010
QM/MM X-ray refinement of zinc metalloenzymesXue Li, Seth A Hayik, 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 MerzJournal of the American Chemical Society|March 24, 2005
Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilisHwangseo Park, Edward N Brothers, Kenneth M MerzPageof 179