Predicting molecular interactions in silico: II. Protein-protein and protein-drug docking.
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.
Schneidman-Duhovny
Dina
D
School of Computer Science, Tel Aviv University, Tel Aviv 69978, Israel. duhovka@tau.ac.it
Nussinov
Ruth
R
Wolfson
Haim J
HJ
D000465:Algorithms; D017076:Computer-Aided Design; D016208:Databases, Factual; D015195:Drug Design; D008024:Ligands; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D021281:Quantitative Structure-Activity Relationship; D011955:Receptors, Drug / Q000737:chemistry*
D008024:Ligands; D011506:Proteins; D011955:Receptors, Drug