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Journal of Computational Chemistry|November 25, 2003
Testing electronic structure methods for describing intermolecular H...H interactions in supramolecular chemistryRicard Casadesús, Miquel Moreno, Angels González-Lafont, et al.Journal of Computational Chemistry|December 30, 2003
New developments in the symmetry-adapted algorithm of the Polarizable Continuum ModelLuca Frediani, Roberto Cammi, Christian S Pomelli, et al.Journal of Computational Chemistry|December 30, 2003
Calculation of affinities of peptides for proteinsSerena Donnini, André H JufferJournal of Computational Chemistry|December 30, 2003
Automated docking of highly flexible ligands by genetic algorithms: a critical assessmentMarco Cecchini, Peter Kolb, Nicolas Majeux, et al.Journal of Computational Chemistry|December 30, 2003
Theoretical study on the rate constants for the C2H5 + HBr --> C2H6 + Br reactionLi Sheng, Ze-Sheng Li, Jing-Yao Liu, et al.Journal of Computational Chemistry|January 22, 2004
Partial rigid-body dynamics in NPT, NPAT and NPgammaT ensembles for proteins and membranesMitsunori IkeguchiJournal of Computational Chemistry|January 22, 2004
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br)Li Wang, Jing-Yao Liu, Ze-Sheng Li, et al.Journal of Computational Chemistry|January 22, 2004
Conformational search of peptides and proteins: Monte Carlo minimization with an adaptive bias method applied to the heptapeptide deltorphinS Banu Ozkan, Hagai MeirovitchJournal of Computational Chemistry|October 8, 2003
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculationsYong Duan, Chun Wu, Shibasish Chowdhury, et al.Journal of Computational Chemistry|October 8, 2003
Computing motif correlations in proteinsJorng-Tzong Horng, Hsien-Da Huang, Shih-Hsien Wang, et al.Pageof 594