J 2013

pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring

JIMENEZ-GARCIA, B PONS and C FERNANDEZ-RECIO

Basic information

Original name

pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring

Authors

JIMENEZ-GARCIA, B PONS and C FERNANDEZ-RECIO

Edition

Bioinformatics, Oxford, Oxford University Press, 2013, 1367-4803

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Confidentiality degree

není předmětem státního či obchodního tajemství

Impact factor

Impact factor: 4.621

DOI

UT WoS

000321746100061
Změněno: 6/2/2017 09:03, doc. Mgr. Jan Paleček, Dr. rer. nat.

Abstract

V originále

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.