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Current Protein & Peptide Science
ISSN (Print): 1389-2037
ISSN (Online): 1875-5550
VOLUME: 8
ISSUE: 4
DOI: 10.2174/138920307781369382      Price:  $58









Structure-Based Drug Design: Docking and Scoring

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Author(s): Romano T. Kroemer
Pages 312-328 (17)
Abstract:
This review gives an introduction into ligand - receptor docking and illustrates the basic underlying concepts. An overview of different approaches and algorithms is provided. Although the application of docking and scoring has led to some remarkable successes, there are still some major challenges ahead, which are outlined here as well. Approaches to address some of these challenges and the latest developments in the area are presented. Some aspects of the assessment of docking program performance are discussed. A number of successful applications of structure-based virtual screening are described.
Keywords:
structure-based virtual screening, Tautomers, Solvation-Based Scoring, ZipDock algorithm, Genetic Optimization for Ligand Docking (GOLD)
Affiliation:
Chemical Sciences, Sanofi-Aventis, 13 Quai Jules Guesde, 94403 Vitry-sur-Seine, France.