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Journal 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.Journal of Molecular Graphics & Modelling|August 22, 2017
Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TSAdam Jarmuła, Piotr Wilk, Piotr Maj, et al.Journal of Molecular Graphics & Modelling|October 21, 2017
Dynamic characteristics of a flagellar motor protein analyzed using an elastic network modelMoon-Ki Choi, Soojin Jo, Byung Ho Lee, et al.Journal of Molecular Graphics & Modelling|October 22, 2017
Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulationsJaime Rubio-Martinez, M Santos Tomas, Juan J PerezPageof 407