CRDOCK specifications


Unique identifier OMICS_08209
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained No


No version available

Publication for CRDOCK

CRDOCK citations


Deciphering how Cpl 7 cell wall binding repeats recognize the bacterial peptidoglycan

Sci Rep
PMCID: 5705596
PMID: 29184076
DOI: 10.1038/s41598-017-16392-4

[…] the most probable binding cavity. Next, and to cover the widest range of possible solutions compatible with STD data, docking programs that use different docking and scoring algorithms were employed: CRDOCK, DOCK6.3, AutoDock4.2 and AutoDock Vina (see Supplementary information). After default evaluation by the respective methods, the best scored solutions were carefully analyzed using the STD data […]


Esterase LpEst1 from Lactobacillus plantarum: A Novel and Atypical Member of the αβ Hydrolase Superfamily of Enzymes

PLoS One
PMCID: 3963902
PMID: 24663330
DOI: 10.1371/journal.pone.0092257

[…] rges and parameters from the Merck molecular force field 94 using the openbabel tool. Energetically favoured binding poses for these substrates within the active site were found by using our in-house CRDOCK tool . Briefly, for each substrate a conformational search was performed and exhaustive sampling was achieved using the AMBER force field for intermolecular energy evaluation and the BFGS algor […]

CRDOCK institution(s)
Departamento de Farmacología, Universidad de Alcalá, Alcalá de Henares, Madrid, Spain

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