title: Computer-Aided Design of Thrombin Inhibitors.
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.
authors.affiliation: Dept. of Biochemistry, University of Zurich, CH-8057 Zurich, Switzerland.
authors.forename: Amedeo
authors.initials: A
authors.lastname: Caflisch
authors.forename: Rudolf
authors.initials: R
authors.lastname: Wälchli
authors.forename: Claus
authors.initials: C
authors.lastname: Ehrhardt