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Journal of Molecular Graphics & Modelling|December 14, 2011
Results of molecular docking as descriptors to predict human serum albumin binding affinityLijuan Chen, Xin ChenJournal of Molecular Graphics & Modelling|February 7, 2012
Probing the simulant behavior of PNPDPP toward parathion and paraoxon: a computational studyAbdul Shafeeuulla Khan, Tusar Bandyopadhyay, Bishwajit GangulyJournal of Molecular Graphics & Modelling|February 7, 2012
Probing the effect of intermolecular interaction and understanding the electrostatic moments of anacardic acid in the active site of p300 enzyme via DFT and charge density analysisB Devipriya, P KumaradhasJournal of Molecular Graphics & Modelling|February 7, 2012
The mechanism of copper-catalyzed azide-alkyne cycloaddition reaction: a quantum mechanical investigationCihan Ozen, Nurcan Ş TüzünJournal of Molecular Graphics & Modelling|August 16, 2011
Minimum energy reaction profiles for ATP hydrolysis in myosinBella L Grigorenko, Ilya A Kaliman, Alexander V NemukhinJournal of Molecular Graphics & Modelling|December 15, 2010
2,4-Diamino-5-(2'-arylpropargyl)pyrimidine derivatives as new nonclassical antifolates for human dihydrofolate reductase inhibitionOztekin Algul, Janet L Paulsen, Amy C AndersonJournal of Molecular Graphics & Modelling|May 25, 2011
The effects of amino-acid mutations on specific interactions between urokinase-type plasminogen activator and its receptor: Ab initio molecular orbital calculationsShingo Tsuji, Tomoyo Kasumi, Keisuke Nagase, et al.Journal of Molecular Graphics & Modelling|May 17, 2011
Inter-ring rotation of apolipoprotein A-I protein monomers for the double-belt model using biased molecular dynamicsThomas R CaulfieldJournal of Molecular Graphics & Modelling|September 17, 2011
A novel method for quantitatively predicting non-covalent interactions from protein and nucleic acid sequenceJiansheng Wu, Dong Hu, Xin Xu, et al.Journal of Molecular Graphics & Modelling|October 15, 2011
The structure-property relationship of chiral 1,1'-binaphthyl-based polyoxometalates: TDDFT studies on the static first hyperpolarizabilities and the ECD spectraJian-Ping Wang, Li-Kai Yan, Wei Guan, et al.Pageof 408