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Journal of Computer-Aided Molecular Design|June 22, 2011
Structural insights for the design of new PPARgamma partial agonists with high binding affinity and low transactivation activityLaura Guasch, Esther Sala, Cristina Valls, et al.Journal of Computer-Aided Molecular Design|July 7, 2011
A comparative study of fragment screening methods on the p38α kinase: new methods, new insightsScott J Pollack, Kim S Beyer, Christopher Lock, et al.Journal of Computer-Aided Molecular Design|March 23, 2007
Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screeningGeorgia Melagraki, Antreas Afantitis, Haralambos Sarimveis, et al.Journal of Computer-Aided Molecular Design|March 28, 2007
Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based searchAjay N JainJournal of Computer-Aided Molecular Design|August 1, 1991
The discovery of novel auxin transport inhibitors by molecular modeling and three-dimensional pattern analysisM G Bures, C Black-Schaefer, G GardnerJournal of Computer-Aided Molecular Design|October 26, 2007
Effective virtual screening protocol for CYP2C9 ligands using a screening site constructed from flurbiprofen and S-warfarin pocketsTímea Polgár, Dóra K Menyhárd, György M KeseruJournal of Computer-Aided Molecular Design|June 15, 2007
QSPR modeling of UV absorption intensitiesAlan R Katritzky, Svetoslav H Slavov, Dimitar A Dobchev, et al.Journal of Computer-Aided Molecular Design|October 1, 1991
Techniques for the calculation of three-dimensional structural similarity using inter-atomic distancesC A Pepperrell, P WillettJournal of Computer-Aided Molecular Design|November 8, 2008
Interaction force diagrams: new insight into ligand-receptor bindingHooman Shadnia, James S Wright, James M AndersonJournal of Computer-Aided Molecular Design|April 3, 2012
Replica exchange Monte-Carlo simulations of helix bundle membrane proteins: rotational parameters of helicesH-H Wu, C-C Chen, C-M ChenPageof 263