BetaCavityWeb: a webserver for molecular voids and channels
- Title
- BetaCavityWeb: a webserver for molecular voids and channels
- Author
- 류성언
- Keywords
- CRYSTAL-STRUCTURE; VORONOI-DIAGRAM; QUASI-TRIANGULATION; BETA-COMPLEXES; PROTEIN; COMPUTATION; CAVITIES; TUNNELS; MACROMOLECULES; IDENTIFICATION
- Issue Date
- 2015-09
- Publisher
- OXFORD UNIV PRESS
- Citation
- NUCLEIC ACIDS RESEARCH, v. 43, NO W1, Page. 413-418
- Abstract
- Molecular cavities, which include voids and channels, are critical for molecular function. We present a webserver, BetaCavityWeb, which computes these cavities for a given molecular structure and a given spherical probe, and reports their geometrical properties: volume, boundary area, buried area, etc. The server's algorithms are based on the Voronoi diagram of atoms and its derivative construct: the beta-complex. The correctness of the computed result and computational efficiency are both mathematically guaranteed. BetaCavityWeb is freely accessible at the Voronoi Diagram Research Center (VDRC) (http://voronoi.hanyang.ac.kr/ betacavityweb).
- URI
- https://academic.oup.com/nar/article/43/W1/W413/2467886/BetaCavityWeb-a-webserver-for-molecular-voids-andhttp://hdl.handle.net/20.500.11754/27511
- ISSN
- 0305-1048; 1362-4962
- DOI
- 10.1093/nar/gkv360
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > BIOENGINEERING(생명공학과) > Articles
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