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Journal of Molecular Modeling|June 15, 2010
Molecular dynamics investigation of psalmopeotoxin I. Probing the relationship between 3D structure, anti-malarial activity and thermal stabilityMatthew Paul Gleeson, Songpon Deechongkit, Somsak Ruchirawat
Journal of Molecular Modeling|August 11, 2010
3D-QSAR and molecular docking studies of azaindole derivatives as Aurora B kinase inhibitorsPing Lan, Wan-Na Chen, Ping-Hua Sun, et al.
Journal of Molecular Modeling|October 17, 2008
Rational design of antithrombotic peptides to target the von Willebrand factor (vWf)--GPIb integrin interactionCarlos del Carpio Munoz, William Campbell, Iren Constantinescu, et al.
Journal of Molecular Modeling|October 17, 2008
Density functional theory and Møller-Plesset studies of hindered rotations of acetoneM Heidari, H Rahemi, A Tarashi, et al.
Journal of Molecular Modeling|June 25, 2010
Computational design of a lipase for catalysis of the Diels-Alder reactionMats Linder, Anders Hermansson, John Liebeschuetz, et al.
Journal of Molecular Modeling|September 28, 2011
Automatic prediction of flexible regions improves the accuracy of protein-protein docking modelsXiaohu Luo, Qiang Lü, Hongjie Wu, et al.
Journal of Molecular Modeling|September 28, 2011
A theoretical study on the reaction mechanism of O2 with C4H9• radicalHong-chen Du, Xue-dong Gong
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