Showing results (2061-2070 of 5,936) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|January 4, 2008
Assessment of programs for ligand binding affinity predictionRyangguk Kim, Jeffrey SkolnickJournal of Computational Chemistry|December 29, 2007
Dynamic structures of phosphodiesterase-5 active site by combined molecular dynamics simulations and hybrid quantum mechanical/molecular mechanical calculationsYing Xiong, Hai-Ting Lu, Chang-Guo ZhanJournal of Computational Chemistry|January 9, 2008
Ab initio determination of the flexibility of 2'-aminoribonucleosides and 2'-aminoarabinonucleosides inserted in duplexesSophie Barbe, Marc Le BretJournal of Computational Chemistry|January 19, 2006
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functionsNorio Yoshida, Fumio HirataJournal of Computational Chemistry|December 12, 2007
Computational protein design: software implementation, parameter optimization, and performance of a simple modelMarcel Schmidt Am Busch, Anne Lopes, David Mignon, et al.Journal of Computational Chemistry|December 12, 2007
An intramolecular induction correction model of the molecular dipole momentAsbjørn Holt, Gunnar KarlströmJournal of Computational Chemistry|December 12, 2007
DFT conformational studies of alpha-maltotrioseUdo Schnupf, Julious L Willett, Wayne B Bosma, et al.Journal of Computational Chemistry|November 19, 2016
Direct determination of discrete harmonic bath parameters from molecular dynamics simulationsPeter L Walters, Thomas C Allen, Nancy MakriJournal of Computational Chemistry|November 19, 2016
Improving scoring-docking-screening powers of protein-ligand scoring functions using random forestCheng Wang, Yingkai ZhangJournal of Computational Chemistry|November 1, 2016
Visualizing dispersion interactions through the use of local orbital spacesAxel Wuttke, Ricardo A MataPageof 594