Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking

Dina Schneidman-Duhovny; Ruth Nussinov; Haim J. Wolfson

doi:10.2174/0929867043456223

Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking

Dina Schneidman-Duhovny^*, Ruth Nussinov, Haim J. Wolfson

^*Corresponding author for this work

Research output: Contribution to journal › Review article › peer-review

72 Scopus citations

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.

Original language	American English
Pages (from-to)	91-107
Number of pages	17
Journal	Current Medicinal Chemistry
Volume	11
Issue number	1
DOIs	https://doi.org/10.2174/0929867043456223
State	Published - 2004
Externally published	Yes

Keywords

Active site detection
Biomolecular recognition
Computer-aided drug design
Flexibility
Protein-ligand docking
Protein-protein docking

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10.2174/0929867043456223

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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.",

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KW - Computer-aided drug design

KW - Flexibility

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Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking

Abstract

Keywords

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