File(s) under permanent embargo

Reason: Access to this part of the dataset is restricted. Please see the link in 'REFERENCES' for the open files from this dataset.

Structural Characterization of Arginine Fingers - Identification of an Arginine Finger for the Pyrophosphatase dUTPases - Part 2

dataset
posted on 02.03.2022, 09:09 authored by Reynier Suardiaz Del Rio, Edina Rosta, Gergely Nagy, Anna Lopata, Olivér Ozohanics, Károly Vékey, Bernard R. Brooks, Ibolya Leveles, Judit Tóth, Beata G Vértessy
The files are compressed as tarballs. Some files were split in smaller files. The whole original file can be obtained by using the cat command in unix.warehouse.tar.gz contain preliminary data and test calculations not explicitly mentioned in the publication. As we plan to include a link to this data in the final version of the article we prefer to keep restricted the access to this part of the data.

See the related dataset linked to under REFERENCES, containing the classical MD trajectories and QM/MM reaction path geometries.

'Structural Characterization of Arginine Fingers - Identification of an Arginine Finger for the Pyrophosphatase dUTPases' https://doi.org/10.18742/RDM01-77

Funding

Phosphate Processing in Enzymes: Structure, Dynamics and Chemistry

European Commission

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Atomistic and Systems-level Modeling of Phosphate Catalysis

Biotechnology and Biological Sciences Research Council

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History

Language

English

Copyright owner

Copyright - Edina Rosta