Download Chemoinformatics and Computational Chemical Biology by Wendy A. Warr (auth.), Jürgen Bajorath (eds.) PDF

By Wendy A. Warr (auth.), Jürgen Bajorath (eds.)

Over the earlier years, the chem(o)informatics box has extra advanced and new program parts have unfolded, for instance, within the generally outlined region of chemical biology. In Chemoinformatics and Computational Chemical Biology, prime investigators compile a close sequence of studies and strategies together with, between others, system-directed methods utilizing small molecules, the layout of target-focused compound libraries, the research of molecular selectivity, and the systematic research of target-ligand interactions. moreover, the ebook delves into similarity tools, laptop studying, probabilistic ways, fragment-based tools, in addition to subject matters that transcend the present chemoinformatics spectrum, similar to knowledge-based modeling of G protein-coupled receptor constructions and computational layout of siRNA libraries. As a quantity within the hugely profitable tools in Molecular Biology™ sequence, this assortment presents particular descriptions and implementation recommendation which are really appropriate for simple researchers and practitioners during this hugely interdisciplinary learn and improvement sector. state-of-the-art and unambiguous, Chemoinformatics and Computational Chemical Biology serves as an awesome consultant for specialists and novices alike to this very important and dynamic box of study.

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2006) PharmID: pharmacophore identification using Gibbs sampling. J. Chem. Inf. Model. 46, 1352–1359. Richmond, N. , and Clark, R. D. (2004) Alignment of three-dimensional molecules using an image recognition algorithm. J. Mol. Graphics Modell. 23, 199–209. , and Clark, R. (2006) GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D. J. -Aided Mol. Des. 20, 567–587. Jain, A. N. (2004) Ligand-based structural hypotheses for virtual screening. J. Med. Chem. 47, 947–961.

Smellie, A. (2007) General purpose interactive physico-chemical property exploration. J. Chem. Inf. Model. 47, 1182–1187. , Erhardt, R. , and Valencia, A. (2005) Text-mining approaches in molecular biology and biomedicine. Drug Discov. Today 10, 439–445. , Kell, D. -I. (2006) Text mining and its potential applications in systems biology. Trends Biotechnol. 24, 571–579. Erhardt, R. A.

Cheminformatics or chemoinformatics? html (accessed October 2, 2009). 4. Warr, W. A. (1999) Balancing the needs of the recruiters and the aims of the educators, in Book of Abstracts, 218th ACS National Meeting, New Orleans, Aug. 22–26. 5. Warr, W. A. Extract from 218th ACS National Meeting and Exposition, New Orleans, Louisiana, August 1999 [cheminformatics]. html (accessed October 2, 2009). 6. Willett, P. (2007) A bibliometric analysis of the Journal of Molecular Graphics and Modelling. J. Mol.

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