Drug Design Strategies
Computational Techniques and Applications
This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems. The information need for a book in th…
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Produktdetails
Weitere Autoren: Banting, Lee (Hrsg.)
- ISBN: 978-1-84973-340-3
- EAN: 9781849733403
- Produktnummer: 35188108
- Verlag: Royal Society Of Chemistry
- Sprache: Englisch
- Erscheinungsjahr: 2012
- Seitenangabe: 464 S.
- Plattform: PDF
- Masse: 0 KB
Über den Autor
Dr Lee Banting BSc(Hons) PhD MRSC CChem, is at the Centre of Molecular Design, School of Pharmacy and Biomedical Sciences, University of Portsmouth, UK. He is a Senior Lecturer in Medicinal Chemistry and is on the Editorial Board of Natural Product Communications. Prof Dr Tim Clark is Professor in Computational Chemistry, and Head of the Centre of Molecular Design, School of Pharmacy and Biomedical Sciences, University of Portsmouth, UK and Technical Director, Computer-Chemie-Centrum, Universitat Erlangen-Nurnberg, Germany and Editor-in-Chief of the Journal of Molecular Modelling.
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