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Molecular Modeling and Prediction of Bioactivity

by Gundertofte, Klaus
Published by : Springer - Verlag ISBN: 0306462176 Subject(s): Bioquímica | Biotecnología | Biochemistry, Biology & Biotechnology | Pharmaceuticals, Cosmetics & Toiletries Year: 2000 List(s) this item appears in: Recursos de Bioquimica
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This 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 optimization, 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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