DockThor specifications

Information


Unique identifier OMICS_13717
Name DockThor
Interface Web user interface
Restrictions to use None
Input data A protein structure file in PDB, a ligand structure file, a cofactor structure or water structure file, grid parameters, genetic algorithm parameters, email address
Output data Email with the link to the results and analyses page, for each solution: the corresponding Run of the Genetic Algorithm, the Model (number of the cluster leader) in the corresponding GA run, the Total Energy, the Intermolecular Energy and the RMSD (root mean square deviation calculated using the non H atoms) relative to the top ranked pose
Computer skills Basic
Stability Stable
Maintained Yes

Documentation


Maintainer


  • person_outline Camila Silva de Magalhães <>

Publication for DockThor

DockThor institution(s)
Universidade Federal do Rio de Janeiro - UFRJ, Campus Xerém, Duque de Caxias, Brazil; Departamento de Matemática, Universidade Federal Rural do Rio de Janeiro, Seropédica, Brazil; Laboratório Nacional de Computação Científica - LNCC, Petrópolis, Brazil; Departamento de Ciência da Computação, Universidade Federal de Juiz de Fora, Juiz de Fora, Brazil
DockThor funding source(s)
FAPERJ (contract Grant E26/102.443/2009) and CNPq 567 (contract Grant 307062/2010-4)

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