Literature DB >> 25904629

BetaCavityWeb: a webserver for molecular voids and channels.

Jae-Kwan Kim1, Youngsong Cho1, Mokwon Lee2, Roman A Laskowski3, Seong Eon Ryu4, Kokichi Sugihara5, Deok-Soo Kim6.   

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).
© The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

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Year:  2015        PMID： 25904629      PMCID： PMC4489219          DOI： 10.1093/nar/gkv360

Source DB:  PubMed          Journal:  Nucleic Acids Res        ISSN： 0305-1048            Impact factor:   16.971


  28 in total

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