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Journal of Molecular Graphics & Modelling|January 29, 2011
Studies of tricyclic piperazine/piperidine furnished molecules as novel integrin αvβ3/αIIbβ3 dual antagonists using 3D-QSAR and molecular dockingYulian Yan, Yan Li, Shuwei Zhang, et al.Journal of Molecular Graphics & Modelling|March 1, 2011
An accurate nonlinear QSAR model for the antitumor activities of chloroethylnitrosoureas using neural networksYu Qin, Hongfei Deng, Hong Yan, et al.Journal of Molecular Graphics & Modelling|October 19, 2010
Prediction of toxicity and data exploratory analysis of estrogen-active endocrine disruptors using counter-propagation artificial neural networksNataša Stojić, Slavica Erić, Igor KuzmanovskiJournal of Molecular Graphics & Modelling|February 22, 2011
Insight into analysis of interactions of GW9508 to wild-type and H86F and H137F GPR40: a combined QM/MM study and pharmacophore modelingShao-Yong Lu, Yong-Jun Jiang, Jian-Wei Zou, et al.Journal of Molecular Graphics & Modelling|October 3, 2009
3D-QSAR analysis of cycloguanil derivatives as inhibitors of A16V + S108T mutant Plasmodium falciparum dihydrofolate reductase enzymeLegesse Adane, Prasad V BharatamJournal of Molecular Graphics & Modelling|March 29, 2011
Computational study on the interaction of a ring-hydroxylating dioxygenase from Sphingomonas CHY-1 with PAHsVito Librando, Matteo PappalardoJournal of Molecular Graphics & Modelling|March 29, 2011
Modification of Martini force field for molecular dynamics simulation of hydrophobic charge induction chromatography of lysozymeLin Zhang, Shu Bai, Yan SunJournal of Molecular Graphics & Modelling|May 25, 2011
Computational modeling of a rotary nanopumpA Lohrasebi, Y JamaliJournal of Molecular Graphics & Modelling|May 25, 2011
Probing the reactivation process of sarin-inhibited acetylcholinesterase with α-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculationsMd Abdul Shafeeuulla Khan, Rabindranath Lo, Tusar Bandyopadhyay, et al.Journal of Molecular Graphics & Modelling|May 25, 2011
The effect of electrostatics on factor H function and related pathologiesChris A Kieslich, Homero Vazquez, Gabrielle N Goodman, et al.Pageof 401