DOCK/PIERR: Web Server for Structure Prediction of Protein–Protein Complexes
In protein docking we aim to find the structure of the complex formed when two proteins interact. Protein–protein interactions are crucial for cell function. Here we discuss the usage of DOCK/PIERR. In DOCK/PIERR, a uniformly discrete sampling of orientations of one protein with respect to the other, are scored, followed by clustering, refinement, and reranking of structures. The novelty of this method lies in the scoring functions used. These are obtained by examining hundreds of millions of correctly and incorrectly docked structures, using an algorithm based on mathematical programming, with provable convergence properties.
KeywordsProtein–protein docking FFT-based docking Knowledge-based potential Atomic potential Residue potential Scoring function Mathematical programming Refinement and reranking
The authors acknowledge funding from NIH grant GM59796 and Welch grant F-1783.
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