pyDockSAXS statistics

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pyDockSAXS specifications

Information


Unique identifier OMICS_10450
Name pyDockSAXS
Interface Web user interface
Restrictions to use None
Input data The user is requested to upload the structure files for the two interacting proteins in the Protein Data Bank (PDB) format. All input file formats are described in the help section of the server.
Computer skills Basic
Stability Stable
Maintained Yes

Maintainer


  • person_outline Juan Fernández-Recio <>

Publication for pyDockSAXS

pyDockSAXS in publications

 (2)
PMCID: 5553349
PMID: 28501583
DOI: 10.1016/j.abb.2017.05.005

[…] found to be correlated with a closed gα conformation induced by gtp ., the combination of saxs and nmr has also been successfully applied in the field of molecular docking. the programs haddock , , pydocksaxs , , and foxsdock have been developed for robust screening of ligand binding and complex formation and include scoring functions for saxs data. it has been shown that the incorporation […]

PMCID: 3427135
PMID: 22800408
DOI: 10.1186/1472-6807-12-17

[…] method that requires a relatively accurate initial configuration []; in the absence of the initial configuration, the method starts from 1000 random orientations. two recently developed methods, pydocksaxs [] and foxsdock [], integrate global search docking programs, energy based scoring functions, and a saxs fit score. pydocksaxs uses ftdock [] for sampling complex orientations, pydock [] […]


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pyDockSAXS institution(s)
Joint BSC-CRG-IRB Research Program in Computational Biology, Barcelona Supercomputing Center, Barcelona, Spain
pyDockSAXS funding source(s)
Programa Estatal I+D+i, the Spanish Ministry of Economy and Competitiveness [BIO2013-48213-R]; Agence Nationale de la Recherche [SPIN-HD-ANR-CHEX-2011 and ATIP-Avenir Program]; FPU Fellowship, the Spanish Ministry of Science and Innovation [BES-2011-045634]

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