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Journal of Molecular Graphics & Modelling|January 22, 2008
Prediction of the receptor conformation for iGluR2 agonist binding: QM/MM docking to an extensive conformational ensemble generated using normal mode analysisTommy Sander, Tommy Liljefors, Thomas BalleJournal of Molecular Graphics & Modelling|July 24, 2007
Design of fructose-2,6-bisphosphatase inhibitors: a novel virtual screening approachM S Shaikh, Amit Mittal, P V BharatamJournal of Molecular Graphics & Modelling|October 2, 2007
An extension of spherical harmonics to region-based rotationally invariant descriptors for molecular shape description and comparisonLora Mak, Scott Grandison, Richard J MorrisJournal of Molecular Graphics & Modelling|September 9, 2006
Computation of through-space NMR shielding effects by aromatic ring-cation complexes: substantial synergistic effect of complexationNed H Martin, Kristin L Main, Amy K PylesJournal of Molecular Graphics & Modelling|October 19, 2006
The intercalation of DNA double helices with doxorubicin and nogalamycinVernon G S BoxJournal of Molecular Graphics & Modelling|July 4, 2008
Selectivity-based QSAR approach for screening and evaluation of TRH analogs for TRH-R1 and TRH-R2 receptors subtypesRameshwar U Kadam, Archana G Chavan, Vikramdeep Monga, et al.Journal of Molecular Graphics & Modelling|July 23, 2008
Structural determination of large molecules through the reassembly of optimized fragmentsJung-Goo Lee, Yoon Sup Lee, Christopher RolandJournal of Molecular Graphics & Modelling|June 10, 2006
Analysis of the domain interactions between the protease and helicase of NS3 in dengue and hepatitis C virusL Rosales-León, G Ortega-Lule, B Ruiz-OrdazJournal of Molecular Graphics & Modelling|April 29, 2006
Fast empirical pKa prediction by Ewald summationElmar Krieger, Jens E Nielsen, Chris A E M Spronk, et al.Journal of Molecular Graphics & Modelling|June 24, 2006
Docking studies of agonists and antagonists suggest an activation pathway of the A3 adenosine receptorSoo-Kyung Kim, Zhan-Guo Gao, Lak Shin Jeong, et al.Pageof 408