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MoKa specifications


Unique identifier OMICS_16061
Name MoKa
Software type Package/Module
Interface Command line interface, Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Windows
Computer skills Advanced
Version 2.6.6
Stability Stable
Maintained Yes


No version available


  • person_outline Simon Cross <>

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Publications for MoKa

MoKa citations


Comparing structural and transcriptional drug networks reveals signatures of drug activity and toxicity in transcriptional responses

PMCID: 5572457
PMID: 28861278
DOI: 10.1038/s41540-017-0022-3

[…] may be present in branded drug formulation but not useful in this work (e.g., besilates, mesilates, chlorides, bromides, sulfates, etc.). protonation state of each structure was calculated with moka software v. 2.0 considering physiological ph 7.4. , finally, 3d minimized conformations were generated with the mmff4x force field in the moe software (v. 2013) and stored as 3d multi-sdf […]


A Novel Binding Mode Reveals Two Distinct Classes of NMDA Receptor GluN2B selective Antagonists

PMCID: 4859819
PMID: 26912815
DOI: 10.1124/mol.115.103036

[…] version 10.3, schrödinger, llc, new york, ny, 2015 ()] was used to prepare the protein in a form that is suitable for molecular modeling calculations. the ligands were titrated at neutral ph using moka () and then converted to 3d using corina (). the glide standard precision (small-molecule drug discovery suite 2015-3, 2015; ) protocol was used to dock the ligands into the protein active site. […]

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MoKa institution(s)
Molecular Discovery, Borehamwood, Hertfordshire, UK

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