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

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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: active site detection; biomolecular recognition; computer-aided drug design; flexibility; protein-ligand docking; protein-protein docking

Document Type: Review Article

DOI: http://dx.doi.org/10.2174/0929867043456223

Affiliations: School of Computer Science, Tel Aviv University, Tel Aviv 69978, Israel.

Publication date: January 1, 2004

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  • Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews written by leaders in the field covering a range of the current topics in medicinal chemistry. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
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