| JIMENEZ-GARCIA, B PONS a C FERNANDEZ-RECIO. pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring. Bioinformatics. Oxford: Oxford University Press, 2013, roč. 29, č. 13, s. 1698-1699. ISSN 1367-4803. Dostupné z: https://dx.doi.org/10.1093/bioinformatics/btt262. |
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@article{1371598,
author = {JimenezandGarcia, and Pons, B and FernandezandRecio, C},
article_location = {Oxford},
article_number = {13},
doi = {http://dx.doi.org/10.1093/bioinformatics/btt262},
language = {eng},
issn = {1367-4803},
journal = {Bioinformatics},
title = {pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring},
volume = {29},
year = {2013}
}
TY - JOUR
ID - 1371598
AU - Jimenez-Garcia,
AU - Pons, B - Fernandez-Recio, C
PY - 2013
TI - pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring
JF - Bioinformatics
VL - 29
IS - 13
SP - 1698-1699
EP - 1698-1699
PB - Oxford University Press
SN - 13674803
N2 - pyDockWEB is a web server for the rigid-body docking prediction of protein-protein complex structures using a new version of the pyDock scoring algorithm. We use here a new custom parallel FTDock implementation, with adjusted grid size for optimal FFT calculations, and a new version of pyDock, which dramatically speeds up calculations while keeping the same predictive accuracy. Given the 3D coordinates of two interacting proteins, pyDockWEB returns the best docking orientations as scored mainly by electrostatics and desolvation energy.
ER -
JIMENEZ-GARCIA, B PONS a C FERNANDEZ-RECIO. pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring. \textit{Bioinformatics}. Oxford: Oxford University Press, 2013, roč.~29, č.~13, s.~1698-1699. ISSN~1367-4803. Dostupné z: https://dx.doi.org/10.1093/bioinformatics/btt262.
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