MoKa statistics
MoKa specifications
Information
| 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 |
Versioning
No version available
Maintainer
- person_outline Simon Cross <>
Additional information
Publications for MoKa
Tautomer preference in PDB complexes and its impact on structure-based drug discovery.
Tautomer enumeration and stability prediction for virtual screening on large chemical databases.
MoKa citations
(2)Comparing structural and transcriptional drug networks reveals signatures of drug activity and toxicity in transcriptional responses
[…] 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
[…] 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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