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Journal of Molecular Modeling|March 5, 2008
Sigma-hole bonding between like atoms; a fallacy of atomic chargesPeter Politzer, Jane S Murray, Monica C ConchaJournal of Molecular Modeling|March 7, 2008
A dynamic view of enzyme catalysisAurora Jiménez, Pere Clapés, Ramon CrehuetJournal of Molecular Modeling|September 6, 2007
Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutantAntonino Lauria, Mario Ippolito, Anna Maria AlmericoJournal of Molecular Modeling|October 6, 2007
Homology modeling and examination of the effect of the D92E mutation on the H5N1 nonstructural protein NS1 effector domainMinyong Li, Binghe WangJournal of Molecular Modeling|July 25, 2006
Probing the nature of hydrogen bonds in DNA base pairsYirong MoJournal of Molecular Modeling|July 3, 2008
Ab initio calculations on the thermodynamic properties of azaborospiropentanesRyan M Richard, David W BallJournal of Molecular Modeling|July 16, 2008
A computational investigation of sulfur-containing heterocyclic components from the anal sac secretions of Mustela speciesWilliam N SetzerJournal of Molecular Modeling|July 16, 2008
The electronic structure of the C2H4O...2HF tri-molecular heterocyclic hydrogen-bonded complex: a theoretical studyBoaz G de Oliveira, Regiane C M U Araújo, Francisco F Chagas, et al.Journal of Molecular Modeling|October 27, 2007
G2, G3, and complete basis set calculations on the thermodynamic properties of triazaneRyan M Richard, David W BallJournal of Molecular Modeling|July 30, 2008
kNNsim: k-nearest neighbors similarity with genetic algorithm features optimization enhances the prediction of activity classes for small moleculesDariusz PlewczynskiPageof 698