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Journal of Molecular Graphics & Modelling|July 19, 2011
Topical perspective on massive threading and parallelismRobert M FarberJournal of Molecular Graphics & Modelling|August 6, 2011
Molecular modeling-based antioxidant arylidene barbiturates as urease inhibitorsKhalid Mohammed Khan, Muhammad Ali, Abdul Wadood, et al.Journal of Molecular Graphics & Modelling|September 21, 2011
A quantum mechanical quantitative structure-property relationship study of the melting point of a variety of organosiliconsYi Liu, Andrew J HolderJournal of Molecular Graphics & Modelling|May 17, 2011
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithmsHongming Chen, Susanne Winiwarter, Markus Fridén, et al.Journal of Molecular Graphics & Modelling|March 23, 2011
dxTuber: detecting protein cavities, tunnels and clefts based on protein and solvent dynamicsMartin Raunest, Christian KandtJournal of Molecular Graphics & Modelling|May 3, 2011
Iso-energetic multiple conformations of hypermodified nucleic acid base wybutine (yW) which occur at 37(th) position in anticodon loop of tRNA(Phe)Navanath M Kumbhar, Kailas D SonawaneJournal of Molecular Graphics & Modelling|May 3, 2011
Binding modes of diketo-acid inhibitors of HIV-1 integrase: a comparative molecular dynamics simulation studyMeilan Huang, Guy H Grant, W Graham RichardsJournal of Molecular Graphics & Modelling|May 3, 2011
Novel ligands that target the mitochondrial membrane protein mitoNEETRobert M Bieganski, Martin L YarmushJournal of Molecular Graphics & Modelling|March 19, 2011
Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration modelsBrad A Bauer, Yang Zhong, David J Meninger, et al.Journal of Molecular Graphics & Modelling|March 19, 2011
Prediction of the PPARα agonism of fibrates by combined MM-docking approachesFabio Lannutti, Alessandro Marrone, Nazzareno RePageof 408