Gro2mat specifications


Unique identifier OMICS_25996
Name Gro2mat
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Computer skills Advanced
Stability Stable
Maintained Yes



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  • person_outline Bernhard Knapp <>

Publication for Gro2mat

Gro2mat in publication

PMCID: 4708099
PMID: 26395770
DOI: 10.1093/bioinformatics/btv502

[…] by the combination of coarse graining, hnmmc and temperature annealing accelerated conformational optimization., the all-atom pmhc structures were converted into 3-point representations () using gro2mat (). in this representation, an amino acid is modelled by the α-carbon and carbonyl oxygen backbone atoms as well as a point at the centre of the side chain., the previously established () […]

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Gro2mat institution(s)
Department of Analysis and Scientific Computing, Vienna University of Technology, Vienna, Austria; Department of Statistics, Protein Informatics Group, University of Oxford, Oxford, UK
Gro2mat funding source(s)
Supported by EPSRC Cross-Discipline Interface Programme (2020 Science Programme); contract grant number: EP/I017909/1.

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