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)
Current Protein & Peptide Science
Title: Structure-Based Drug Design: Docking and Scoring
Volume: 8 Issue: 4
Author(s): Romano T. Kroemer
Affiliation:
Keywords: structure-based virtual screening, Tautomers, Solvation-Based Scoring, ZipDock algorithm, Genetic Optimization for Ligand Docking (GOLD)
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.
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Cite this article as:
Romano T. Kroemer , Structure-Based Drug Design: Docking and Scoring, Current Protein & Peptide Science 2007; 8 (4) . https://dx.doi.org/10.2174/138920307781369382
DOI https://dx.doi.org/10.2174/138920307781369382 |
Print ISSN 1389-2037 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5550 |
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