BetaSCPWeb: side-chain prediction for protein structures using Voronoi diagrams and geometry prioritization
- Title
- BetaSCPWeb: side-chain prediction for protein structures using Voronoi diagrams and geometry prioritization
- Author
- 김덕수
- Keywords
- CONFORMATIONS; DOCKING; OPTIMIZATION; SEARCH
- Issue Date
- 2016-05
- Publisher
- OXFORD UNIV PRESS
- Citation
- NUCLEIC ACIDS RESEARCH, v. 44, NO W1, Page. 416-423
- Abstract
- 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.
- URI
- https://academic.oup.com/nar/article/44/W1/W416/2499352https://repository.hanyang.ac.kr/handle/20.500.11754/71427
- ISSN
- 0305-1048; 1362-4962
- DOI
- 10.1093/nar/gkw368
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > MECHANICAL ENGINEERING(기계공학부) > Articles
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