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Journal 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 PlewczynskiJournal of Molecular Modeling|July 31, 2008
Molecular modeling study on chemically diverse series of cyclooxygenase-2 selective inhibitors: generation of predictive pharmacophore model using catalystMadhu Chopra, Ruby Gupta, Swati Gupta, et al.Journal of Molecular Modeling|July 25, 2008
DFT-based theoretical QSPR models of Q-e parameters for the prediction of reactivity in free-radical copolymerizationsXinliang Yu, Wanqiang Liu, Fang Liu, et al.Journal of Molecular Modeling|July 17, 2008
The anti-fibrillogenic activity of tetracyclines on PrP 106-126: a 3D-QSAR studyUgo Cosentino, Demetrio Pitea, Giorgio Moro, et al.Journal of Molecular Modeling|July 24, 2008
Molecular modeling of nitrosamines adsorbed on H-ZSM-5 zeolite: an ONIOM studyAnawat Pinisakul, Chinapong Kritayakornupong, Vithaya RuangpornvisutiJournal of Molecular Modeling|July 24, 2008
Rotational model for nematic phase stability of fluorinated phenylbicyclohexane liquid crystalsHeng Ma, Zhen-Xin Li, De-Heng Shi, et al.Journal of Molecular Modeling|June 14, 2006
Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulationsBing Zhang, Vincent B C Tan, Kian Meng Lim, et al.Pageof 708