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

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

doi:10.2174/0929867043456223

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