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 (2022)

PLUMED input files

File Compatible with
LAT1/plumed.dat tested on v2.8 tested on master with LOAD

Last tested: 22 Jun 2022, 17:12:30

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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plumeDnest:22.018