Jcim 2007
WebCruciani, JCIM, 2007 von Itzstein, Nature, 1993 Muratore, PNAS, 2012 Mason, TIPS, 2012 Cruciani, JMedChem, 2005 GRID manual 1995 Carosati, JMedChem, 2004 BioGPS . Molecular Discovery Cruciani, Perugia University Gabriele BioGPS: The Music for the Chemo- and Bioinformatics Walzer WebJ Chem Inf Model. 2007 Mar-Apr;47(2):400-6.doi: 10.1021/ci6002202. Epub 2007 Jan 23. Authors Shinji Soga 1 , Hiroki Shirai, Masato Kobori, Noriaki Hirayama Affiliation …
Jcim 2007
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WebJournal of Chemical Information and Modeling (JCIM) Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity Predictions D. Gonzalez, L. Macaya, C. Castillo-Orellana, T. Verstraelen, S. Vogt-Geisse, E. Vohringer-Martinez http://modem.ucsd.edu/adme/
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WebAbstract. Protein−ligand interaction fingerprints have been used to postprocess docking poses of three ligand data sets: a set of 40 low-molecular-weight compounds from the …
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