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Journal of Computational Chemistry|January 14, 2005
Stereodynamics of bond rotation in tertiary 1-naphthoic acid amides: a computational studyPablo Campomanes, M Isabel Menéndez, Ramón López, et al.Journal of Computational Chemistry|February 5, 2005
SARS-CoV protease inhibitors design using virtual screening method from natural products librariesBing Liu, Jiaju ZhouJournal of Computational Chemistry|February 5, 2005
Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanicsA M Tokmachev, A L TchougréeffJournal of Computational Chemistry|December 4, 2003
TGSA-Flex: Extending the capabilities of the Topo-Geometrical Superposition Algorithm to handle flexible moleculesXavier Gironés, Ramon Carbó-DorcaJournal of Computational Chemistry|December 4, 2003
Computational study of conformational preferences of thioamide-containing azaglycine peptidesHo-Jin Lee, Jong Hyun Kim, Hee Jung Jung, et al.Journal of Computational Chemistry|December 4, 2003
Theoretical study on the excited states of psoralen compounds bonded to a thymine residueA Nakata, T Baba, H Takahashi, et al.Journal of Computational Chemistry|December 4, 2003
Direct dynamic study on the hydrogen abstraction reaction CH3CN + OH-->CH2CN + H2OQian-Shu Li, Chao Yang WangJournal of Computational Chemistry|January 22, 2004
Modified Gaussian-2 level investigation of the identity ion-pair SN2 reactions of lithium halide and methyl halide with inversion and retention mechanismsYi Ren, San-Yan ChuJournal of Computational Chemistry|January 22, 2004
A kinematic view of loop closureEvangelos A Coutsias, Chaok Seok, Matthew P Jacobson, et al.Journal of Computational Chemistry|November 25, 2003
Peptide backbone reconstruction using dead-end elimination and a knowledge-based forcefieldStewart A AdcockPageof 593