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Journal of Computational Chemistry|May 30, 2009
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlationsAndrey A Toropov, Alla P Toropova, Emilio Benfenati, et al.Journal of Computational Chemistry|May 23, 2009
Computing free energy hypersurfaces for anisotropic intermolecular associationsJohan Strümpfer, Kevin J NaidooJournal of Computational Chemistry|May 29, 2009
Molecular dynamics simulation study of association in trifluoroethanol/water mixturesS Jalili, M AkhavanJournal of Computational Chemistry|May 16, 2009
CHARMM: the biomolecular simulation programB R Brooks, C L Brooks, A D Mackerell, et al.Journal of Computational Chemistry|February 27, 2009
Molecular dynamics simulation exploration of cooperative migration mechanism of calcium ions in sarcoplasmic reticulum Ca2+-ATPaseYongqi Huang, Huifang Li, Yuxiang BuJournal of Computational Chemistry|February 27, 2009
A binary coding method of RNA secondary structure and its applicationBo Liao, Weiyang Chen, Xingming Sun, et al.Journal of Computational Chemistry|February 27, 2009
Extensive conformational searches of 13 representative dipeptides and an efficient method for dipeptide structure determinations based on amino acid conformersWenbo Yu, Xuee Xu, Hongbao Li, et al.Journal of Computational Chemistry|February 27, 2009
Perfect planar tetracoordinate carbon in neutral unsaturated hydrocarbon cages: a new strategy utilizing three-dimensional electron delocalizationYang WangJournal of Computational Chemistry|April 29, 2009
First-principles calculations on the energetics, electronic structures and magnetism of SrFeO(2)Wen Lai HuangJournal of Computational Chemistry|April 29, 2009
Free energy simulations reveal a double mutant avian H5N1 virus hemagglutinin with altered receptor binding specificityPayel Das, Jingyuan Li, Ajay K Royyuru, et al.Pageof 593