Showing results (2761-2770 of 5,944) with videos related to
Sort By:
Pageof 595
Journal of Computational Chemistry|September 12, 2012
An analytical method for computing atomic contact areas in biomoleculesPaul Mach, Patrice KoehlJournal of Computational Chemistry|October 16, 2012
GRID: a high-resolution protein structure refinement algorithmMohsen Chitsaz, Stephen L MayoJournal of Computational Chemistry|July 31, 2020
Interatomic exchange-correlation interaction energy from a measure of quantum theory of atoms in molecules topological bonding: A diatomic caseAleksei A Anisimov, Ivan V AnanyevJournal of Computational Chemistry|July 14, 2020
Chalcogen-mercury bond formation and disruption in model Rabenstein's reactions: A computational analysisAndrea Madabeni, Marco Dalla Tiezza, Folorunsho Bright Omage, et al.Journal of Computational Chemistry|August 12, 2020
Atomistic simulation reveals structural mechanisms underlying D614G spike glycoprotein-enhanced fitness in SARS-COV-2I Olaposi Omotuyi, Oyekanmi Nash, O Basiru Ajiboye, et al.Journal of Computational Chemistry|January 23, 2014
Multipolar electrostatics for proteins: atom-atom electrostatic energies in crambinYongna Yuan, Matthew J L Mills, Paul L A PopelierJournal of Computational Chemistry|May 24, 2014
Pairwise decomposition of an MMGBSA energy function for computational protein designThomas Gaillard, Thomas SimonsonJournal of Computational Chemistry|May 24, 2014
1H and 13C NMR scaling factors for the calculation of chemical shifts in commonly used solvents using density functional theoryGregory K PierensJournal of Computational Chemistry|June 13, 2014
Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO descriptionFrank Weinhold, Paul von Ragué Schleyer, William Chadwick McKeeJournal of Computational Chemistry|January 25, 2014
Iron-sulfur bond covalency from electronic structure calculations for classical iron-sulfur clustersTravis V Harris, Robert K SzilagyiPageof 595