BetaCavityWeb: a webserver for molecular voids and channels.
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ABSTRACT:
SUBMITTER: Kim JK
PROVIDER: S-EPMC4489219 | biostudies-literature | 2015 Jul
REPOSITORIES: biostudies-literature
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BetaCavityWeb: a webserver for molecular voids and channels.
Kim Jae-Kwan JK Cho Youngsong Y Lee Mokwon M Laskowski Roman A RA Ryu Seong Eon SE Sugihara Kokichi K Kim Deok-Soo DS
Nucleic acids research 20150422 W1
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 mathe ...[more]
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