Other formats:
BibTeX
LaTeX
RIS
@inproceedings{785236,
author = {Beneš, Petr and Medek, Petr and Sochor, Jiří},
address = {Aire-la-Ville, Switzerland},
booktitle = {Proceedings of Visual Computing for Biomedicine},
keywords = {more channels;channel computation;protein;molecule},
language = {eng},
location = {Aire-la-Ville, Switzerland},
isbn = {978-3-905674-13-2},
pages = {45-51},
publisher = {Eurographics Association},
title = {Computation of more channels in protein molecules},
year = {2008}
}
TY - JOUR
ID - 785236
AU - Beneš, Petr - Medek, Petr - Sochor, Jiří
PY - 2008
TI - Computation of more channels in protein molecules
PB - Eurographics Association
CY - Aire-la-Ville, Switzerland
SN - 9783905674132
KW - more channels;channel computation;protein;molecule
N2 - In the process of designing drugs it is crucial to perform various analyses of cavities and channels in protein molecules. Chemists also require that more than one ideal channel be computed in a static protein molecule. Three basic approaches for computation of more than a single channel were introduced in recent publications. However, these approaches have several disadvantages. In this paper we propose a new adaptive method for computation of more channels. This new method is piloted on a real data and results are compared with channels identified by chemists as relevant. The comparison indicates that this method is a significant improvement over previous methods, as the method computes less number of similar and biochemically insignificant channels.
ER -
BENEŠ, Petr, Petr MEDEK and Jiří SOCHOR. Computation of more channels in protein molecules. In \textit{Proceedings of Visual Computing for Biomedicine}. Aire-la-Ville, Switzerland: Eurographics Association, 2008, p.~45-51. ISBN~978-3-905674-13-2.
|
