Project ID: plumID:22.018
Name: Describing Inhibitor Specificity for the Amino Acid Transporter LAT1 from Metainference Simulations
Archive: https://github.com/maxbonomi/plumed-nest-data/raw/master/projects-2022/LAT1.zip
Category: bio
Keywords: ligand binding, docking, EMMI, LAT1
PLUMED version: 2.7
Contributor: Max Bonomi
Submitted on: 13 Apr 2022
Last revised: 05 May 2022
Publication: K. Hutchinson, D. B. Silva, J. Bohlke, C. Clausen, A. A. Thomas, M. Bonomi, A. Schlessinger, Describing inhibitor specificity for the amino acid transporter LAT1 from metainference simulations. Biophysical Journal. 121, 4476–4491 (2022)
PLUMED input files
| File | Compatible with |
|---|---|
| LAT1/plumed.dat |    |
Last tested: 22 Apr 2025, 10:04:54
Project description and instructions
This egg contains the input files for replicating metainference simulations of LAT1. PLUMED GitHub ISDB branch and GROMACS 2020.1 were used.
Click here to open manual pages for actions used in this project.
Submission history
[v1] 13 Apr 2022: original submission
[v2] 05 May 2022: updated doi
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