BetaSCP2: A program for the optimal prediction of side-chains in proteins
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ryu, Joonghyun | - |
dc.contributor.author | Lee, Mokwon | - |
dc.contributor.author | Cha, Jehyun | - |
dc.contributor.author | Song, Chanyoung | - |
dc.contributor.author | Kim, Deok-Soo | - |
dc.date.accessioned | 2022-07-16T03:46:03Z | - |
dc.date.available | 2022-07-16T03:46:03Z | - |
dc.date.created | 2021-05-11 | - |
dc.date.issued | 2014-08 | - |
dc.identifier.issn | 0302-9743 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/159465 | - |
dc.description.abstract | The side-chain prediction problem (SCP-problem), is a computational problem to predict the optimal structure of proteins by finding the optimal dihedral angles. The SCP-problem is one of key computational cornerstones for many important problems such as protein design, flexible docking of proteins, homology modeling, etc. The SCP-problem can be formulated as a minimization problem of an integer linear program which is NP-hard thus inevitably invites heuristic approach to find the solution. In this paper, we report a heuristic algorithm, called BetaSCP2, which quickly finds an excellent solution of the SCP-problem. The solution process of the BetaSCP2 is facilitated by the Voronoi diagram and its dual structure called the quasi-triangulation. The BetaSCP2 is entirely implemented using the Molecular Geometry engine called BULL! which has been developed by Voronoi Diagram Research Center (VDRC) in C++ programming language. The benchmark test of the BetaSCP2 with other programs is also provided. The BetaSCP2 program is available as both a stand-alone and a web server program from VDRC. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | Springer Verlag | - |
dc.title | BetaSCP2: A program for the optimal prediction of side-chains in proteins | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Deok-Soo | - |
dc.identifier.doi | 10.1007/978-3-662-44199-2_52 | - |
dc.identifier.scopusid | 2-s2.0-84905842170 | - |
dc.identifier.bibliographicCitation | Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), v.8592 LNCS, pp.333 - 340 | - |
dc.relation.isPartOf | Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) | - |
dc.citation.title | Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) | - |
dc.citation.volume | 8592 LNCS | - |
dc.citation.startPage | 333 | - |
dc.citation.endPage | 340 | - |
dc.type.rims | ART | - |
dc.type.docType | Conference Paper | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | Benchmarking | - |
dc.subject.keywordPlus | C++ (programming language) | - |
dc.subject.keywordPlus | Chains | - |
dc.subject.keywordPlus | Computational geometry | - |
dc.subject.keywordPlus | Forecasting | - |
dc.subject.keywordPlus | Graphic methods | - |
dc.subject.keywordPlus | Heuristic algorithms | - |
dc.subject.keywordPlus | Heuristic methods | - |
dc.subject.keywordPlus | Integer programming | - |
dc.subject.keywordPlus | Proteins | - |
dc.subject.keywordPlus | Structural optimization | - |
dc.subject.keywordPlus | Triangulation | - |
dc.subject.keywordPlus | Beta complexes | - |
dc.subject.keywordPlus | BetaSCP2 | - |
dc.subject.keywordPlus | Protein structures | - |
dc.subject.keywordPlus | Quasi triangulations | - |
dc.subject.keywordPlus | Side-chains | - |
dc.subject.keywordPlus | Voronoi diagrams | - |
dc.subject.keywordPlus | Problem oriented languages | - |
dc.subject.keywordAuthor | beta-complex | - |
dc.subject.keywordAuthor | BetaSCP2 | - |
dc.subject.keywordAuthor | protein structure/function | - |
dc.subject.keywordAuthor | quasi-triangulation | - |
dc.subject.keywordAuthor | side-chain prediction | - |
dc.subject.keywordAuthor | Voronoi diagram | - |
dc.identifier.url | https://link.springer.com/chapter/10.1007%2F978-3-662-44199-2_52 | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
222, Wangsimni-ro, Seongdong-gu, Seoul, 04763, Korea+82-2-2220-1365
COPYRIGHT © 2021 HANYANG UNIVERSITY.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.