Showing results (2251-2260 of 5,939) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|July 17, 2008
Enveloping triangulation method for detecting internal cavities in proteins and algorithm for computing their surface areas and volumesJán Busa, Shura Hayryan, Chin-Kun Hu, et al.Journal of Computational Chemistry|April 29, 2009
Geometric similarity between protein-RNA interfacesPeng Zhou, Jianwei Zou, Feifei Tian, et al.Journal of Computational Chemistry|April 29, 2009
QSAR of antilipid peroxidative activity of substituted benzodioxoles using chemometric toolsIndrani Mitra, Kunal Roy, Achintya SahaJournal of Computational Chemistry|April 29, 2009
Trypsin-ligand binding free energies from explicit and implicit solvent simulations with polarizable potentialDian Jiao, Jiajing Zhang, Robert E Duke, et al.Journal of Computational Chemistry|April 29, 2009
Comparative analysis of the performance of commonly available density functionals in the determination of geometrical parameters for zinc complexesSérgio F Sousa, Emanuela S Carvalho, Diana M Ferreira, et al.Journal of Computational Chemistry|May 2, 2009
Theoretical study of the prion protein based on the fragment molecular orbital methodTakeshi Ishikawa, Takakazu Ishikura, Kazuo KuwataJournal of Computational Chemistry|May 2, 2009
A computational study of photochemical isomerization reactions of thiophenesMing-Der SuJournal of Computational Chemistry|May 2, 2009
Paired orbitals for different spins equationsIgor Zilberberg, Sergey RuzankinJournal of Computational Chemistry|May 13, 2009
Ab initio quantum mechanical charge field study of hydrated bicarbonate ion: structural and dynamical propertiesViwat Vchirawongkwin, Andreas B Pribil, Bernd M RodeJournal of Computational Chemistry|February 21, 2009
PACKMOL: a package for building initial configurations for molecular dynamics simulationsL Martínez, R Andrade, E G Birgin, et al.Pageof 594