UNICON specifications

Information


Unique identifier OMICS_19109
Name UNICON
Alternative name NAOMI
Software type Package/Module
Interface Graphical user interface
Restrictions to use Academic or non-commercial use
Input data Supports the common cheminformatic file formats, as well as the import of small molecules from PDBx/mmCIF files.
Input format SDF, MOL, MOL2, SMILES, PDB
Operating system Unix/Linux, Mac OS, Windows
Computer skills Medium
Stability Stable
Registration required Yes

Versioning


No version available

Additional information


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Publications for UNICON

UNICON citations

 (2)
library_books

How Diverse Are the Protein Bound Conformations of Small Molecule Drugs and Cofactors?

2018
PMCID: 5880911
PMID: 29637066
DOI: 10.3389/fchem.2018.00068

[…] by at least 10 structures, and these served as the basis of this analysis.To ensure that all ligands with the same PDB ligand ID have identical stereochemistry, their isomeric smiles (generated with UNICON, Sommer et al., ) were compared in order to keep only the isomer with the most occurrences. The Approved Drugs subset of DrugBank (Wishart et al., ) was used to identify the approved drugs pres […]

library_books

An Efficient Implementation of the Nwat MMGBSA Method to Rescore Docking Results in Medium Throughput Virtual Screenings

2018
PMCID: 5844977
PMID: 29556494
DOI: 10.3389/fchem.2018.00043

[…] enerate stereoisomers, ring conformations, and tautomersGenerate stereoisomers, ring conformations, tautomers, and protonation states.The sixth library processing tandem was applied in this work. The UNICON software is used to generate tautomer and protonation states (Sommer et al., ). We chose the topscoring keyword to generate only the most favored tautomers and protomers, as in preliminary eval […]

UNICON institution(s)
Center for Bioinformatics, Research Group for Computational Molecular Design, University of Hamburg, Hamburg, Germany

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