Molecular Modeling and Prediction of Bioactivity

出版者:Springer

作者:Gundertofte, Klaus; Joregensen, Fleming Steen; Gundertofte, Klaus

页数:518

出版时间:2000-01-31

价格:USD 149.00

装帧:Hardcover

isbn号码:9780306462177

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.