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Journal of Molecular Graphics & Modelling|January 2, 2010
Mechanical unfolding of bacterial flagellar filament protein by molecular dynamics simulationChoon-Peng Chng, Akio KitaoJournal of Molecular Graphics & Modelling|January 20, 2010
CoMFA analyses of C-2 position salvinorin A analogs at the kappa-opioid receptor provides insights into epimer selectivityDonna L McGovern, Philip D Mosier, Bryan L Roth, et al.Journal of Molecular Graphics & Modelling|January 9, 2010
The solution structures of the cucumber mosaic virus and tomato aspermy virus coat proteins explored with molecular dynamics simulationsAkos Gellért, Ervin BalázsJournal of Molecular Graphics & Modelling|January 9, 2010
Ensemble-based virtual screening reveals dual-inhibitors for the p53-MDM2/MDMX interactionsKhaled Barakat, Jonathan Mane, Douglas Friesen, et al.Journal of Molecular Graphics & Modelling|January 12, 2010
Robust modelling of solubility in supercritical carbon dioxide using Bayesian methodsAnna Tarasova, Frank Burden, Johann Gasteiger, et al.Journal of Molecular Graphics & Modelling|January 23, 2010
The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico studyFilip Fratev, Svava Osk JónsdóttirJournal of Molecular Graphics & Modelling|November 2, 2005
Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentialsChristian Hoppe, Christoph Steinbeck, Gerd WohlfahrtJournal of Molecular Graphics & Modelling|February 5, 2010
Sphericity of a protein via the beta-complexDeok-Soo Kim, Jae-Kwan Kim, Chung-In Won, et al.Journal of Molecular Graphics & Modelling|November 26, 2009
Analysis of CYP3A4-HIV-1 protease drugs interactions by computational methods for Highly Active Antiretroviral Therapy in HIV/AIDSMannu Jayakanthan, Sanniyasi Chandrasekar, Jayaraman Muthukumaran, et al.Journal of Molecular Graphics & Modelling|November 10, 2009
PubChem BioAssays as a data source for predictive modelsBin Chen, David J WildPageof 408