swMATH ID: 20703
Software Authors: Joonghyun Ryu, Mokwon Lee, Jehyun cha, Roman A. Laskowski, Seong Eon Ryu, Deok-Soo Kim
Description: BetaSCPWeb: Side-chain prediction for protein structures using Voronoi diagrams and geometry prioritization. Many applications, such as protein design, homology modeling, flexible docking, etc. require the prediction of a protein’s optimal side-chain conformations from just its amino acid sequence and backbone structure. Side-chain prediction (SCP) is an NP-hard energy minimization problem. Here, we present BetaSCPWeb which efficiently computes a conformation close to optimal using a geometry-prioritization method based on the Voronoi diagram of spherical atoms. Its outputs are visual, textual and PDB file format. The web server is free and open to all users at http://voronoi.hanyang.ac.kr/betascpweb with no login requirement.
Homepage: http://voronoi.hanyang.ac.kr/betascpweb/
Related Software: QTFier; BetaConcept; BetaVoid; CAVER; packomania; VRONI; LEDA; CGAL
Cited in: 1 Publication

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