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: 17 Apr 2024, 07:18:49
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.
Submission history
[v1] 13 Apr 2022: original submission
[v2] 05 May 2022: updated doi
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