Example of molecular dynamics simulations analyzed with the Bios2cor package

This dataset provides all the data necessary to analyze correlated sidechain motions in an accelerated molecular dynamics trajectory of CXCR4 with the bios2cor package. It includes: (1) the raw trajectory with input and parameters files, (2) 25 snapshots of the trajectory in pdb format, (3) all the data for the Bios2cor analysis and (4) an excel file with equivalence between CXCR4 numberings.

Identifier
DOI https://doi.org/10.17632/5v7bmfctsz.1
PID https://nbn-resolving.org/urn:nbn:nl:ui:13-ky-984z
Metadata Access https://easy.dans.knaw.nl/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:easy.dans.knaw.nl:easy-dataset:186470
Provenance
Creator Chabbert, M
Publisher Data Archiving and Networked Services (DANS)
Contributor Marie Chabbert
Publication Year 2020
Rights info:eu-repo/semantics/openAccess; License: https://creativecommons.org/licenses/by-nc/3.0; https://creativecommons.org/licenses/by-nc/3.0
OpenAccess true
Representation
Resource Type Dataset
Discipline Other