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Journal of Molecular Graphics & Modelling|November 18, 2011
A dynamical approach to contact distance based protein structure determinationAndrew Toon, Gareth WilliamsJournal of Molecular Graphics & Modelling|November 25, 2011
Specific interactions and binding energies between thermolysin and potent inhibitors: molecular simulations based on ab initio molecular orbital methodTatsuya Hirakawa, Seiya Fujita, Tatsuya Ohyama, et al.Journal of Molecular Graphics & Modelling|May 22, 2012
Dual inhibition of chaperoning process by taxifolin: molecular dynamics simulation studySharad Verma, Amit Singh, Abha MishraJournal of Molecular Graphics & Modelling|August 31, 2013
Molecular modeling and simulation of FabG, an enzyme involved in the fatty acid pathway of Streptococcus pyogenesRajamohmed Beema Shafreen, Shunmugiah Karutha PandianJournal of Molecular Graphics & Modelling|July 30, 2011
Multi-conformation 3D QSAR study of benzenesulfonyl-pyrazol-ester compounds and their analogs as cathepsin B inhibitorsZhigang Zhou, Yanli Wang, Stephen H BryantJournal of Molecular Graphics & Modelling|November 9, 2011
Combinatorial support vector machines approach for virtual screening of selective multi-target serotonin reuptake inhibitors from large compound librariesZ Shi, X H Ma, C Qin, et al.Journal of Molecular Graphics & Modelling|August 12, 2011
Atomic-scale characterization of conformational changes in the preQ₁ riboswitch aptamer upon ligand bindingPaula M Petrone, Janetta Dewhurst, Ruben Tommasi, et al.Journal of Molecular Graphics & Modelling|September 2, 2011
HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysisJacob D Durrant, J Andrew McCammonJournal of Molecular Graphics & Modelling|October 26, 2011
Predictive QSAR modeling of phosphodiesterase 4 inhibitorsVasyl Kovalishyn, Vsevolod Tanchuk, Larisa Charochkina, et al.Journal of Molecular Graphics & Modelling|September 13, 2011
A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinasesJavier García, Pablo R Duchowicz, María F Rozas, et al.Pageof 400