Computer-aided design of thrombin inhibitors

TitleComputer-aided design of thrombin inhibitors
Publication TypeJournal Article
Year of Publication1998
AuthorsCaflisch A., Wälchli R., Ehrhardt C.
JournalNews in Physiological Science
Volume13
Pagination182-189
Date Published1998 Aug
Type of ArticleReview Article
Abstract

Computer-aided ligand design is an active, challenging, and multidisciplinary research field that blends knowledge of biochemistry, physics, and computer sciences. Whenever it is possible to experimentally determine or to model the three-dimensional structure of a pharmacologically relevant enzyme or receptor, computational approaches can be used to design specific high-affinity ligands. This article describes methods, applications, and perspectives of computer-assisted ligand design.
pubindex

0015
Alternate JournalNews Physiol. Sci.
PubMed ID11390786
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