Computer Aided Drug Design in Industrial Research

ISBN-13: 9783662031438 / Angielski / Miękka / 2012 / 254 str.

E. C. Herrmann; R. Franke

Opis

The Ernst Schering Research Foundation sponsored its 15th workshop in Berlin on October 19-21, 1994. Leading scientists from Europe and North America were invited to discuss computer-aided drug design in industrial research. Computer-aided drug design is a very exciting field and an intellec tual challenge, like playing chess. But these reasons are no longer suf ficient to justify using this method in industry, if they ever were. Fig. 1. The participants of the workshop VI Preface Therefore, when we, together with Prof. Hoyer, started to think about this workshop, our intentions quickly became clear. We were not so much interested in the very latest developments of methods or in computer-aided drug design itself - enough conferences have dealt with these topics. However, we were very interested in the usefulness and limitations of computer-aided drug design in the indu strial research process. A lot has changed in the pharmaceutical industry recently. These changes are gaining momentum, so it is the right time to think about the role of computer-aided drug design in this changing environment."

Spis treści

1 Some Aspects of Computational Chemistry.- 2 Computer-Aided Drug Design in Industrial Research — A Management Perspective.- 3 Reflections on Collaborations of a Computational Chemist with Medicinal Chemists and Other Scientists.- 4 Structure-Based Ligand Design.- 5 Chances and Risks of Modeling in Industry.- 6 The Advantages of Using Rational Drug Design in Modern Drug Discovery: How to Integrate Computer-Aided Drug Design and Modern Biotechnology.- 7 Screening Three-Dimensional Databases for Lead Finding.- 8 Optimization of Peptide Leads and Molecular Modeling.- 9 Quantitative Structure—Activity Relationships and Crystallography in Industrial Drug Design.- 10 The Role of Structure-Based Ligand Design in Industrial Pharmaceutical Research.- 11 Drug Design Methods in Real-Life Situations: Recent Examples and Future Opportunities.- 12 Theoretical Chemistry as Part of the Interdisciplinary Approach to Rational Drug Design.- 13 Computer-Aided Drug Design in Industry: A Summary of Perspectives.- Previous Volumes Published in this Series.