Abstract
This article reviews the docking field starting from basic docking algorithms and describing the latest advances. We present the algorithmic framework and classify the state of-the-art methods. We point out the bottlenecks of the methods, like flexibility, absence of absolute scoring functions and explain what types of information can potentially be added to improve the results.
Keywords: biomolecular recognition, computer-aided drug design, protein-protein docking, protein-ligand docking, active site detection, flexibility
Current Medicinal Chemistry
Title: Predicting Molecular Interactions in silico: II. Protein-Protein and Protein- Drug Docking
Volume: 11 Issue: 1
Author(s): D. Schneidman-Duhovny, R. Nussinov and H. J. Wolfson
Affiliation:
Keywords: biomolecular recognition, computer-aided drug design, protein-protein docking, protein-ligand docking, active site detection, flexibility
Abstract: This article reviews the docking field starting from basic docking algorithms and describing the latest advances. We present the algorithmic framework and classify the state of-the-art methods. We point out the bottlenecks of the methods, like flexibility, absence of absolute scoring functions and explain what types of information can potentially be added to improve the results.
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Cite this article as:
D. Schneidman-Duhovny , R. Nussinov and H. J. Wolfson , Predicting Molecular Interactions in silico: II. Protein-Protein and Protein- Drug Docking, Current Medicinal Chemistry 2004; 11 (1) . https://dx.doi.org/10.2174/0929867043456223
DOI https://dx.doi.org/10.2174/0929867043456223 |
Print ISSN 0929-8673 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-533X |
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