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Journal of Computer-Aided Molecular Design|December 15, 2012
Computational study of the effects of protein tyrosine nitrations on the catalytic activity of human thymidylate synthaseAdam Jarmuła, Wojciech RodeJournal of Computer-Aided Molecular Design|December 19, 2012
Free enthalpies of replacing water molecules in protein binding pocketsSereina Riniker, Luzi J Barandun, François Diederich, et al.Journal of Computer-Aided Molecular Design|May 31, 2013
The continuous molecular fields approach to building 3D-QSAR modelsIgor I Baskin, Nelly I ZhokhovaJournal of Computer-Aided Molecular Design|July 24, 2013
In silico molecular docking analysis of the human Argonaute 2 PAZ domain reveals insights into RNA interferenceMahmoud Kandeel, Yukio KitadeJournal of Computer-Aided Molecular Design|August 31, 2013
Molecular dynamics simulation and linear interaction energy study of D-Glu-based inhibitors of the MurD ligaseAndrej Perdih, Gerhard Wolber, Tom SolmajerJournal of Computer-Aided Molecular Design|August 28, 2013
Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR studyDavid Fernández, Joaquín Ortega-Castro, Juan FrauJournal of Computer-Aided Molecular Design|April 30, 2013
Identification of novel small molecule TGF-β antagonists using structure-based drug designHao Wang, Richard B Sessions, Stephen S Prime, et al.Journal of Computer-Aided Molecular Design|April 25, 2012
Structure-based design of oxygen-linked macrocyclic kinase inhibitors: discovery of SB1518 and SB1578, potent inhibitors of Janus kinase 2 (JAK2) and Fms-like tyrosine kinase-3 (FLT3)Anders Poulsen, Anthony William, Stéphanie Blanchard, et al.Journal of Computer-Aided Molecular Design|October 15, 2013
The importance of molecular complexity in the design of screening librariesShahul H Nilar, Ngai Ling Ma, Thomas H KellerJournal of Computer-Aided Molecular Design|October 17, 2013
Toward the discovery of inhibitors of babesipain-1, a Babesia bigemina cysteine protease: in vitro evaluation, homology modeling and molecular docking studiesBianca Pérez, Sandra Antunes, Lídia M Gonçalves, et al.Pageof 265