CoNSEnsX specifications

Information


Unique identifier OMICS_19954
Name CoNSEnsX
Alternative names Compliance of NMR-derived Structural Ensembles with eXperimental data, CoNSEnsX+ (Compliance of NMR-derived Structural Ensembles with eXperimental data + selection)
Restrictions to use None
Input data PDB, NMR-Star
Programming languages Python
Computer skills Basic
Stability Stable
Maintained Yes

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Information


Unique identifier OMICS_19954
Name CoNSEnsX
Alternative names Compliance of NMR-derived Structural Ensembles with eXperimental data, CoNSEnsX+ (Compliance of NMR-derived Structural Ensembles with eXperimental data + selection)
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages Python
License MIT License
Computer skills Advanced
Stability Stable
Maintained Yes

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Publications for Compliance of NMR-derived Structural Ensembles with eXperimental data

CoNSEnsX in publications

 (2)
PMCID: 5353683
PMID: 28300139
DOI: 10.1038/srep44504

[…] unrestrained simulations were run with exactly the same setup but with s2 and distance restraint force constants set to zero. correspondence of the ensembles to s2 parameters was checked with the consensx server. chemical shifts were back-calculated with shiftx2 with parameter settings corresponding to the experimental conditions for each molecule as described in the original publications […]

PMCID: 4464532
PMID: 25676351
DOI: 10.1002/chem.201404879

[…] with 16 replicas. by discarding conformers before the first 1 ns of the run, 256 structures were selected for the final ensemble. correspondence to experimental data was verified by using the consensx web server.[], approximate models for the states characteristic of the hot and cold states were obtained based on 13cα and amide 15n chemical shifts by selecting conformers […]

CoNSEnsX institution(s)
Faculty of Information technology and Bionics, Pázmány Péter Catholic University, Budapest, Hungary
CoNSEnsX funding source(s)
Supported by the National Research, Development and Innovation Office – NKFIH through grant no. NF104198.

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