ParaDockS statistics

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ParaDockS specifications


Unique identifier OMICS_23899
Name ParaDockS
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C, C++
License GNU General Public License version 3.0
Computer skills Advanced
Version 0.1.1
Stability Stable
Maintained Yes



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Publication for ParaDockS

ParaDockS in publications

PMCID: 3341317
DOI: 10.1186/1758-2946-4-S1-F3

[…] ligand complexes, is still a challenging task. many different algorithms and approaches try to solve the molecular docking problem. within this work we introduce the open source docking platform paradocks (parallel docking suite) [], that allows the convenient incorporation of existing and new approaches either to describe ligand-receptor interaction or to search for native poses., the goal […]

PMCID: 3341274
DOI: 10.1186/1758-2946-4-S1-P35

[…] with molecular docking algorithms to make them simply applicable for virtual screening. therefore, the aim of this work is the implementation of general tools within the open-source framework paradocks [] to obtain target-class-specific scoring functions. these scoring functions are based on knowledge-based atom-pair potentials which can be used in an additive manner (pmf-score) to score […]

PMCID: 3332061
PMID: 22532837
DOI: 10.1371/journal.pone.0034973

[…] compounds of the biomol kinase inhibitor library, which were tested in the in-vitro assay, were docked into the atp binding pocket of prk1. we used three different docking methods (gold , glide and paradocks ) and five different scoring functions (chemscore, goldscore, glidescore, paradocks p-score and amber gbsa score , ). in total, 63 compounds could be successfully docked into the atp […]

PMCID: 2746281
PMID: 19789626
DOI: 10.1371/journal.pone.0007258

[…] of dmso., x-ray coordinates of the sti571/abl (1iep.pdb) and sti571/kit (1t46.pdb) x-ray structures were taken from the protein databank and used in combination with our in-house docking program, paradocks, and the x-score of wang et al. to dock masitinib into abl and kit. figures were prepared with pymol version 1.00 (delano scientific)., female mbri nu/nu mice (7 weeks old) (janvier, […]

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ParaDockS institution(s)
Department of Pharmaceutical Chemistry, Martin-Luther Universitat Halle-Wittenberg, Halle/Saale, Germany; Research Center Pharmaceutical Engineering GmbH, Graz, Austria; Biotechnologisches Zentrum der TU Dresden, Dresden, Germany; CAS-MPG Partner Institute for Computational Biology, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, Shanghai, China; Heidelberg Institute for Theoretical Studies (HITS), Heidelberg, Germany

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