BetaCavityWeb: a webserver for molecular voids and channels

Title
BetaCavityWeb: a webserver for molecular voids and channels
Authors
김덕수
Keywords
CRYSTAL-STRUCTURE; VORONOI-DIAGRAM; QUASI-TRIANGULATION; BETA-COMPLEXES; PROTEIN; COMPUTATION; CAVITIES; TUNNELS; MACROMOLECULES; IDENTIFICATION
Issue Date
2015-04
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
http://nar.oxfordjournals.org/content/43/W1/W413http://hdl.handle.net/20.500.11754/23769
ISSN
0305-1048; 1362-4962
DOI
http://dx.doi.org/10.1093/nar/gkv360
Appears in Collections:
COLLEGE OF ENGINEERING[S](공과대학) > MECHANICAL ENGINEERING(기계공학부) > Articles
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