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PostDock specifications


Unique identifier OMICS_19639
Name PostDock
Software type Application/Script
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Windows
Computer skills Medium
Stability Stable
Maintained Yes


No version available


  • person_outline Ghislain Deslongchamps

Publication for PostDock

PostDock citations


Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening

PMCID: 4832270
PMID: 27110292
DOI: 10.1002/wcms.1225

[…] are binders or not. Further information about how methods for VS are trained, validated, and applied can be found in Section ‘A common taxonomy for SFs’.An early machine‐learning classifier for VS is postDOCK, which was designed as a rescoring method to distinguish between true binders and decoys. Structural descriptors from ligand‐protein complexes and a RF classifier were used to discriminate be […]


1,2,3,4,6 Penta O galloylglucose within Galla Chinensis Inhibits Human LDH A and Attenuates Cell Proliferation in MDA MB 231 Breast Cancer Cells

PMCID: 4396556
PMID: 25918543
DOI: 10.1155/2015/276946

[…] otinamide adenine dinucleotide (NAI), allowing us to map the active site for docking the test ligand PGG. During the entire docking process, ring flexibility of the ligand was considered. Predock and postdock minimizations were performed and a self-scoring term was included for optimum results. […]


Machine learning methods in chemoinformatics

PMCID: 4180928
PMID: 25285160
DOI: 10.1002/wcms.1183

[…] ictions must be based on essentially the same pool of data. Interestingly, the idea of combining predictors of different kinds into an ensemble has been much less explored in chemoinformatics than in postdock scoring, where consensus scores constitute a well-established method. […]


Cannabinoid receptor type 2 (CB2) selective N aryl oxadiazolyl propionamides: synthesis, radiolabelling, molecular modelling and biological evaluation

PMCID: 3598492
PMID: 23067874
DOI: 10.1186/2191-2858-2-32

[…] to weight the suggested poses employing Boltzmann statistics.In Figure this is illustrated by encoding the energy in the visibility of the molecule according to the method implemented in the program PostDock []. While for 6h only one representative pose was predicted, for 6a and 6e, two and three lower populated binding modes were found, respectively. This is illustrated by the blue shades in Fig […]


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