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Journal of Molecular Graphics & Modelling|August 28, 2004
Structure prediction of small transmembrane helix bundlesKay-Eberhard GottschalkJournal of Molecular Graphics & Modelling|June 5, 2004
The signature molecular descriptor. 3. Inverse-quantitative structure-activity relationship of ICAM-1 inhibitory peptidesCarla J Churchwell, Mark D Rintoul, Shawn Martin, et al.Journal of Molecular Graphics & Modelling|June 5, 2004
A method for quantifying and visualizing the diversity of QSAR modelsSergei Izrailev, Dimitris K AgrafiotisJournal of Molecular Graphics & Modelling|April 22, 2004
All-atom generalized-ensemble simulations of small proteinsBrian S Kinnear, Martin F Jarrold, Ulrich H E HansmannJournal of Molecular Graphics & Modelling|April 22, 2004
Enhanced ab initio protein folding simulations in Poisson-Boltzmann molecular dynamics with self-guiding forcesEdward Z Wen, Meng-Juei Hsieh, Peter A Kollman, et al.Journal of Molecular Graphics & Modelling|March 23, 2005
LigScore: a novel scoring function for predicting binding affinitiesAndré Krammer, Paul D Kirchhoff, X Jiang, et al.Journal of Molecular Graphics & Modelling|March 23, 2005
Structure and property correlation for Ag deposition on alpha-Al2O3--a first principle studyAbhijit Chatterjee, Syuichi Niwa, Fujio MizukamiJournal of Molecular Graphics & Modelling|July 12, 2005
Direct determination of reaction paths and stationary points on potential of mean force surfacesGuohui Li, Qiang CuiJournal of Molecular Graphics & Modelling|November 9, 2004
A CoMFA study of COX-2 inhibitors with receptor based alignmentPrasanna A Datar, Evans C CoutinhoJournal of Molecular Graphics & Modelling|June 14, 2005
Similarities among receptor pockets and among compounds: analysis and application to in silico ligand screeningYoshifumi Fukunishi, Yoshiaki Mikami, Haruki NakamuraPageof 402