Recognition of docking sites on a protein using beta-shape based on Voronoi diagram of atoms
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Deok-Soo | - |
dc.contributor.author | Cho, Cheol-Hyung | - |
dc.contributor.author | Kim, Donguk | - |
dc.contributor.author | Cho, Youngsong | - |
dc.date.accessioned | 2022-12-21T11:23:29Z | - |
dc.date.available | 2022-12-21T11:23:29Z | - |
dc.date.created | 2022-09-16 | - |
dc.date.issued | 2006-05 | - |
dc.identifier.issn | 0010-4485 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/181509 | - |
dc.description.abstract | A protein consists of atoms. Given a protein, the automatic recognition of depressed regions on the surface of the protein, often called docking sites or pockets, is important for the analysis of interaction between a protein and a ligand and facilitates fast development of new drugs. Presented in this paper is a geometric approach for the detection of docking sites using beta-shape which is based on the Voronoi diagram for atoms in Euclidean distance metric. We first propose a geometric construct called a beta-shape which represents the proximity among atoms on the surface of a protein. Then, using the beta-shape, which takes the size differences among different atoms into account, we present an algorithm to extract the pockets for the possible docking site on the surface of a protein. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER SCI LTD | - |
dc.title | Recognition of docking sites on a protein using beta-shape based on Voronoi diagram of atoms | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Deok-Soo | - |
dc.identifier.doi | 10.1016/j.cad.2005.11.008 | - |
dc.identifier.scopusid | 2-s2.0-33646143990 | - |
dc.identifier.wosid | 000237998000003 | - |
dc.identifier.bibliographicCitation | COMPUTER-AIDED DESIGN, v.38, no.5, pp.431 - 443 | - |
dc.relation.isPartOf | COMPUTER-AIDED DESIGN | - |
dc.citation.title | COMPUTER-AIDED DESIGN | - |
dc.citation.volume | 38 | - |
dc.citation.number | 5 | - |
dc.citation.startPage | 431 | - |
dc.citation.endPage | 443 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Computer Science | - |
dc.relation.journalWebOfScienceCategory | Computer Science, Software Engineering | - |
dc.subject.keywordPlus | MOLECULAR-SURFACES | - |
dc.subject.keywordPlus | CIRCLE SET | - |
dc.subject.keywordPlus | POINT SET | - |
dc.subject.keywordPlus | CAVITIES | - |
dc.subject.keywordPlus | VOLUME | - |
dc.subject.keywordPlus | COMPUTATION | - |
dc.subject.keywordPlus | POLYHEDRA | - |
dc.subject.keywordPlus | POCKETS | - |
dc.subject.keywordPlus | MACROMOLECULES | - |
dc.subject.keywordPlus | VISUALIZATION | - |
dc.subject.keywordAuthor | - | |
dc.subject.keywordAuthor | binding sites | - |
dc.subject.keywordAuthor | docking | - |
dc.subject.keywordAuthor | Voronoi diagram of spheres | - |
dc.subject.keywordAuthor | beta-shape | - |
dc.subject.keywordAuthor | protein interaction | - |
dc.subject.keywordAuthor | drug design | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0010448505001946?via%3Dihub | - |
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