Published 2024 | Version v1
Dataset Open

Data and code for allosteric competition and inhibition in AMPA receptors

Authors/Creators

  • 1. ROR icon Johns Hopkins University School of Medicine

Description

The data deposited here accompany the manuscript “Allosteric competition and inhibition in AMPA receptors.” Included are the timeseries data from umbrella sampling molecular dynamics simulations and the initial, equilibrated atomic coordinates used in the simulations. Also included are Charmm, Fortran, Gnuplot, and Python code used to generate and analyze the data. Detailed file contents are summarized in the README files.

 

Files

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md5:cbbfdbe4a343eb61a49d1411c69754e0
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Additional details

Funding

National Institutes of Health
Structural dynamics and function of the glutamate receptor ligand-binding domain R01 GM094495