Predicting Molecular Interactions in silico: II. Protein-Protein and Protein- Drug Docking

D. Schneidman-Duhovny; R. Nussinov; H. J. Wolfson

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

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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

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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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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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