Predicting Molecular Interactions in silico: II. Protein-Protein and Protein- Drug Docking
Bentham Science Publisher D. Schneidman-Duhovny, Bentham Science Publisher R. Nussinov, Bentham Science Publisher H. J. Wolfson · Current Medicinal Chemistry · 2004
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