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Journal of Computer-Aided Molecular Design|April 26, 2012
On the active site of mononuclear B1 metallo β-lactamases: a computational studyJacopo Sgrignani, Alessandra Magistrato, Matteo Dal Peraro, et al.Journal of Computer-Aided Molecular Design|December 31, 2011
Of possible cheminformatics futuresTudor I Oprea, Olivier Taboureau, Cristian G BologaJournal of Computer-Aided Molecular Design|December 20, 2011
Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitorsGeorgiana Surpateanu, Bogdan I IorgaJournal of Computer-Aided Molecular Design|November 15, 2011
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug designBenjamin Schaefer, Caroline Kisker, Christoph A SotrifferJournal of Computer-Aided Molecular Design|June 5, 2012
R-group template CoMFA combines benefits of "ad hoc" and topomer alignments using 3D-QSAR for lead optimizationRichard D CramerJournal of Computer-Aided Molecular Design|May 29, 2012
Understanding the molecular interactions of different radical scavengers with ribonucleotide reductase M2 (hRRM2) domain: opening the gates and gaining accessArijit Basu, Barij N SinhaJournal of Computer-Aided Molecular Design|August 28, 2013
Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidaseDiem-Trang T Tran, Ly T Le, Thanh N TruongJournal of Computer-Aided Molecular Design|May 14, 2011
Identification of novel inhibitors of mitogen-activated protein kinase phosphatase-1 with structure-based virtual screeningHwangseo Park, Jeong-Yi Jeon, Song Yi Kim, et al.Journal of Computer-Aided Molecular Design|March 2, 2011
Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approachSandhya Kortagere, Ernest Mui, Rima McLeod, et al.Journal of Computer-Aided Molecular Design|July 28, 2011
Open3DALIGN: an open-source software aimed at unsupervised ligand alignmentPaolo Tosco, Thomas Balle, Fereshteh ShiriPageof 265