β-shape based computation of blending surfaces on a molecule
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ryu, Joonghyun | - |
dc.contributor.author | Park, Rhohun | - |
dc.contributor.author | Cho, Youngsong | - |
dc.contributor.author | Seo, Jeongyeon | - |
dc.contributor.author | Kim, Deok Soo | - |
dc.date.accessioned | 2022-12-21T07:03:47Z | - |
dc.date.available | 2022-12-21T07:03:47Z | - |
dc.date.created | 2022-09-16 | - |
dc.date.issued | 2007-07 | - |
dc.identifier.issn | 0000-0000 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/179832 | - |
dc.description.abstract | It has been generally accepted that the structure of molecule is one of the most important factors which determine the functions of a molecule. Hence, studies have been conducted to analyze the structure of a molecule. Molecular surface is an important example of molecular structure. Given a molecular surface, the area and volume of the molecule can be computed to facilitate problems such as protein docking and folding. Therefore, it is important to compute a molecular surface precisely and efficiently. This paper presents an algorithm for correctly and efficiently computing the blending surfaces of a protein which is an important part of the molecular surface. Assuming that the Voronoi diagram of atoms of a protein is given, we first compute the β-shape of the protein corresponding to a solvent probe. Then, we use a search space reduction technique for the intersection tests while the link blending surface is computed. Once a β-shape is obtained, the blending surfaces corresponding to a given solvent probe can be computed in O(n) in the worst case, where n is the number of atoms. The correctness and efficiency of the algorithm stem from the powerful properties of β-shape, quasi-triangulation, and the interworld data structure. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | IEEE | - |
dc.title | β-shape based computation of blending surfaces on a molecule | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Kim, Deok Soo | - |
dc.identifier.doi | 10.1109/ISVD.2007.1 | - |
dc.identifier.scopusid | 2-s2.0-47849109855 | - |
dc.identifier.bibliographicCitation | Proceedings - ISVD 2007 The 4th International Symposium on Voronoi Diagrams in Science and Engineering 2007, pp.189 - 198 | - |
dc.relation.isPartOf | Proceedings - ISVD 2007 The 4th International Symposium on Voronoi Diagrams in Science and Engineering 2007 | - |
dc.citation.title | Proceedings - ISVD 2007 The 4th International Symposium on Voronoi Diagrams in Science and Engineering 2007 | - |
dc.citation.startPage | 189 | - |
dc.citation.endPage | 198 | - |
dc.type.rims | ART | - |
dc.type.docType | Conference Paper | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordPlus | Atomic physics | - |
dc.subject.keywordPlus | Atoms | - |
dc.subject.keywordPlus | Blending | - |
dc.subject.keywordPlus | Data structures | - |
dc.subject.keywordPlus | File organization | - |
dc.subject.keywordPlus | Protein folding | - |
dc.subject.keywordPlus | Quantum chemistry | - |
dc.subject.keywordPlus | Solvents | - |
dc.subject.keywordPlus | Space probes | - |
dc.subject.keywordPlus | Trees (mathematics) | - |
dc.subject.keywordPlus | Blending surfaces | - |
dc.subject.keywordPlus | Intersection tests | - |
dc.subject.keywordPlus | Molecular surfaces | - |
dc.subject.keywordPlus | Protein docking | - |
dc.subject.keywordPlus | Search space reductions | - |
dc.subject.keywordPlus | Shape-based | - |
dc.subject.keywordPlus | Structure of a molecules | - |
dc.subject.keywordPlus | Voronoi diagrams | - |
dc.subject.keywordPlus | Worst cases | - |
dc.subject.keywordPlus | Molecules | - |
dc.identifier.url | https://ieeexplore.ieee.org/document/4276121 | - |
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