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Science/Engineering Molecular Modeling and Prediction of Bioactivity

Posted on 2010-03-16




Name:Science/Engineering Molecular Modeling and Prediction of Bioactivity
ASIN/ISBN:0306462176
Language:English
File size:75 Mb
Publish Date: January 24, 2007
ISBN: 0306462176
Pages: 512 pages
File Type: PDF
File Size: 75 mb
Other Info: Springer
   Science/Engineering Molecular Modeling and Prediction of Bioactivity

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Molecular Modeling and Prediction of Bioactivity

The book covers highly important topics in the challenging process from lead finding to drug candidates. Focus is upon the potential usefulness of methods for design of lead discovery libraries, lead optimisation, computational chemistry methods for the calculation of energetics of protein-ligand interaction, and computer simulations of biological activities. Important topics include new developments in chemometrics and rational molecular design as well as different aspects of structure representation, knowledge-based approaches to structure identification, and information handling.

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