Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations. Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

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знания и навыки

Molecular Modeling

Animal Models for Human Cancer. Discovery and Development of Novel Therapeutics

Fragment-based Drug Discovery. Lessons and Outlook

Pharmacokinetics and Metabolism in Drug Design

In vivo Models for Drug Discovery

Reactive Drug Metabolites

Scaffold Hopping in Medicinal Chemistry

Data Mining in Drug Discovery

Drug Metabolism Prediction