Pocket extraction on proteins via the Voronoi diagram of spheres
DC Field | Value | Language |
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dc.contributor.author | Kim, Donguk | - |
dc.contributor.author | Cho, Cheol-Hyung | - |
dc.contributor.author | Cho, Youngsong | - |
dc.contributor.author | Ryu, Joonghyun | - |
dc.contributor.author | Bhak, Jonghwa | - |
dc.contributor.author | Kim, Deok-Soo | - |
dc.date.accessioned | 2022-12-21T03:37:47Z | - |
dc.date.available | 2022-12-21T03:37:47Z | - |
dc.date.created | 2022-08-26 | - |
dc.date.issued | 2008-04 | - |
dc.identifier.issn | 1093-3263 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/178786 | - |
dc.description.abstract | Proteins consist of atoms. Given a protein, the automatic recognition of depressed regions, called pockets, on the surface of proteins is important for protein-ligand docking and facilitates fast development of new drugs. Recently, computational approaches have emerged for recognizing pockets from the geometrical point of view. Presented in this paper is a geometric method for the pocket recognition which is based on the Voronoi diagram for atoms. Given a Voronoi diagram, the proposed algorithm transforms the atomic structure to meshes which contain the information of the proximity among atoms, and then recognizes depressions on the surface of a protein using the meshes. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER SCIENCE INC | - |
dc.title | Pocket extraction on proteins via the Voronoi diagram of spheres | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Deok-Soo | - |
dc.identifier.doi | 10.1016/j.jmgm.2007.10.002 | - |
dc.identifier.scopusid | 2-s2.0-40649097302 | - |
dc.identifier.wosid | 000254721700008 | - |
dc.identifier.bibliographicCitation | JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.26, no.7, pp.1104 - 1112 | - |
dc.relation.isPartOf | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | - |
dc.citation.title | JOURNAL OF MOLECULAR GRAPHICS & MODELLING | - |
dc.citation.volume | 26 | - |
dc.citation.number | 7 | - |
dc.citation.startPage | 1104 | - |
dc.citation.endPage | 1112 | - |
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 | Biochemistry & Molecular Biology | - |
dc.relation.journalResearchArea | Computer Science | - |
dc.relation.journalResearchArea | Crystallography | - |
dc.relation.journalResearchArea | Mathematical & Computational Biology | - |
dc.relation.journalWebOfScienceCategory | Biochemical Research Methods | - |
dc.relation.journalWebOfScienceCategory | Biochemistry & Molecular Biology | - |
dc.relation.journalWebOfScienceCategory | Computer Science, Interdisciplinary Applications | - |
dc.relation.journalWebOfScienceCategory | Crystallography | - |
dc.relation.journalWebOfScienceCategory | Mathematical & Computational Biology | - |
dc.subject.keywordPlus | BINDING SITES | - |
dc.subject.keywordPlus | 3D SPHERES | - |
dc.subject.keywordPlus | SURFACES | - |
dc.subject.keywordPlus | CAVITIES | - |
dc.subject.keywordPlus | VOLUME | - |
dc.subject.keywordPlus | SPACE | - |
dc.subject.keywordPlus | ATOMS | - |
dc.subject.keywordPlus | POLYHEDRA | - |
dc.subject.keywordPlus | DENSITY | - |
dc.subject.keywordPlus | DOCKING | - |
dc.subject.keywordAuthor | Voronoi diagram of atoms | - |
dc.subject.keywordAuthor | protein | - |
dc.subject.keywordAuthor | - | |
dc.subject.keywordAuthor | binding site | - |
dc.subject.keywordAuthor | docking | - |
dc.subject.keywordAuthor | protein surface | - |
dc.subject.keywordAuthor | blending mesh | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S1093326307001507?via%3Dihub | - |
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