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Journal of Molecular Graphics & Modelling|February 20, 2010
Role of Arg301 in substrate orientation and catalysis in subsite 2 of D-alanine:D-alanine (D-lactate) ligase from Leuconostoc mesenteroides: a molecular docking studyFrancis C NeuhausJournal of Molecular Graphics & Modelling|February 5, 2010
Computed NMR shielding increments over benzo-analogs of unsaturated five-membered ring heterocyclic compounds as a measure of aromaticityNed H Martin, Jimmy E Rowe, Eddie LaReece PittmanJournal of Molecular Graphics & Modelling|December 22, 2005
Molecular basis for the enantioselective binding of a novel class of cytochrome bc1 complex inhibitorsYa-Jun ZhengJournal of Molecular Graphics & Modelling|December 27, 2005
Multiple target screening method for robust and accurate in silico ligand screeningYoshifumi Fukunishi, Yoshiaki Mikami, Satoru Kubota, et al.Journal of Molecular Graphics & Modelling|November 9, 2005
An evaluation of spherical designs for molecular-like surfacesRichard J MorrisJournal of Molecular Graphics & Modelling|December 8, 2009
Structural modeling and simulation studies of Brugia malayi glutathione-S-transferase with compounds exhibiting antifilarial activity: implications in drug targeting and designingMarshleen Yadav, Alka Singh, Sushma Rathaur, et al.Journal of Molecular Graphics & Modelling|November 18, 2005
Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methodsC W Yap, Z R Li, Y Z ChenJournal of Molecular Graphics & Modelling|November 29, 2005
A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87-99E D Mantzourani, T V Tselios, S Golic Grdadolnik, et al.Journal of Molecular Graphics & Modelling|September 26, 2014
Predicting the structures of complexes between phosphoinositide 3-kinase (PI3K) and romidepsin-related compounds for the drug design of PI3K/histone deacetylase dual inhibitors using computational docking and the ligand-based drug design approachAkifumi Oda, Ken Saijo, Chikashi Ishioka, et al.Journal of Molecular Graphics & Modelling|August 20, 2017
Ligand-binding characterization of simulated β-adrenergic-like octopamine receptor in Schistocerca gregaria via progressive structure simulationHui-Meng Lu, Xiao-Li Lu, Jia-Hui Zhai, et al.Pageof 407