摘要: Originally published in: Protein-Ligand Interactions.Edited by Hans-Joachim Bohm, Gisbert Schneider. Copyright © 2003 Wiley-VCH Verlag GmbH & Co. KGaA Weinheim. Print ISBN: 3-527-30521-6 The sections in this article are Introduction The Active Site The Heuristic Approach Mechanism-based Covalent Inhibitors Parallel de novo Design of Inhibitors Evolution Inhibitors Inhibitors from Progressive Design Lessons Classical Inhibitors Estimating the Energies Interactions Water and Solvent Displacing a Tightly Bound Water Binding Solvent Molecules Screening Structure-Activity Relationships (SAR) Present Clinical Status Thrombin Inhibitors Conclusions Acknowledgments Keywords: drug design; enzyme-inhibitor design; active site; inhibitors; de design inhibitors; progressive design; structure-activity relationships (SAR); thrombin inhibitors
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