Ebook: Computer Aided Drug Design in Industrial Research
- Tags: Biochemistry general, Pharmacology/Toxicology
- Series: Ernst Schering Research Foundation Workshop 15
- Year: 1995
- Publisher: Springer-Verlag Berlin Heidelberg
- Edition: 1
- Language: English
- pdf
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.
Content:
Front Matter....Pages I-XIII
Some Aspects of Computational Chemistry....Pages 1-9
Computer-Aided Drug Design in Industrial Research — A Management Perspective....Pages 11-38
Reflections on Collaborations of a Computational Chemist with Medicinal Chemists and Other Scientists....Pages 39-60
Structure-Based Ligand Design....Pages 61-77
Chances and Risks of Modeling in Industry....Pages 79-97
The Advantages of Using Rational Drug Design in Modern Drug Discovery: How to Integrate Computer-Aided Drug Design and Modern Biotechnology....Pages 99-109
Screening Three-Dimensional Databases for Lead Finding....Pages 111-128
Optimization of Peptide Leads and Molecular Modeling....Pages 129-161
Quantitative Structure-Activity Relationships and Crystallography in Industrial Drug Design....Pages 163-186
The Role of Structure-Based Ligand Design in Industrial Pharmaceutical Research....Pages 187-206
Drug Design Methods in Real-Life Situations: Recent Examples and Future Opportunities....Pages 207-224
Theoretical Chemistry as Part of the Interdisciplinary Approach to Rational Drug Design....Pages 225-243
Computer-Aided Drug Design in Industry: A Summary of Perspectives....Pages 245-250
Back Matter....Pages 251-254
Content:
Front Matter....Pages I-XIII
Some Aspects of Computational Chemistry....Pages 1-9
Computer-Aided Drug Design in Industrial Research — A Management Perspective....Pages 11-38
Reflections on Collaborations of a Computational Chemist with Medicinal Chemists and Other Scientists....Pages 39-60
Structure-Based Ligand Design....Pages 61-77
Chances and Risks of Modeling in Industry....Pages 79-97
The Advantages of Using Rational Drug Design in Modern Drug Discovery: How to Integrate Computer-Aided Drug Design and Modern Biotechnology....Pages 99-109
Screening Three-Dimensional Databases for Lead Finding....Pages 111-128
Optimization of Peptide Leads and Molecular Modeling....Pages 129-161
Quantitative Structure-Activity Relationships and Crystallography in Industrial Drug Design....Pages 163-186
The Role of Structure-Based Ligand Design in Industrial Pharmaceutical Research....Pages 187-206
Drug Design Methods in Real-Life Situations: Recent Examples and Future Opportunities....Pages 207-224
Theoretical Chemistry as Part of the Interdisciplinary Approach to Rational Drug Design....Pages 225-243
Computer-Aided Drug Design in Industry: A Summary of Perspectives....Pages 245-250
Back Matter....Pages 251-254
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