Simulation & Modeling - Software Engineering, Pharmacology, Chemistry - General & Miscellaneous
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Overview
This text traces developments in rational drug discovery and combinatorial library design with contributions from 50 leading scientists in academia and industry who offer coverage of basic principles, design strategies, methodologies, software tools and algorithms, and applications. It outlines the fundamentals of pharmacophore modelling and 3D Quantitative Structure-Activity Relationships (QSAR), classical QSAR, and target protein structure-based design methods.
Editorials
Journal of Medicinal Chemistry
...provides a wealth of excellent reference material...an essential addition to the library of medicinal chemistry.Booknews
Contributors from academia and industry in the US and Europe trace the latest advances in rational drug discovery and combinatorial library design, covering basic principles, design strategies, methodologies, software tools and algorithms, and applications. Focus is on fundamentals of pharmacophore modeling and 3D Quantitative Structure- Activity Relationships (QSAR), classical QSAR, and target protein structure-based design methods. Specific topics include fast continuum electrostatics methods for structure-based ligand design, knowledge- based approaches for the design of small-molecule libraries for drug discovery, relative and absolute diversity analysis of combinatorial libraries, and design of combinatorial libraries that mimic biological motifs. The editors are research scientists in the private sector. Annotation c. Book News, Inc., Portland, OR (booknews.com)Book Details
Published
June 26, 2001
Publisher
New York : M. Dekker, c2001.
Pages
648
Format
Hardcover
ISBN
9780824704872