Current Protein & Peptide Science

Ben M. Dunn  
Department of Biochemistry and Molecular Biology University of Florida
College of Medicine, P.O. Box 100245, Gainesville
Florida, FL 32610-0245
USA

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Structure-Based Drug Design: Docking and Scoring

Author(s): Romano T. Kroemer.

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)

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Article Details

VOLUME: 8
ISSUE: 4
Year: 2007
Page: [312 - 328]
Pages: 17
DOI: 10.2174/138920307781369382
Price: $58