PLUMED-NEST

Project ID: plumID:26.012
Name: Buprenorphine Restricts the Conformational Landscape of the μ-Opioid Receptor
Archive: https://github.com/saureli/MOR_OneOPES/archive/refs/heads/main.zip
Category: bio
Keywords: OneOPES, GPCR, MOR, activation, euclidean path, conformational changes, allostery
PLUMED version: 2.9.1
Contributor: Simone Aureli
Submitted on: 21 Aug 2026
Publication: S. Aureli, M. Bzowka, N. Piasentin, M. Fuss, F. L. Gervasio, Buprenorphine Restricts the Conformational Landscape of the μ-Opioid Receptor. doi: 10.64898/2026.06.12.731880 (2026)

PLUMED input files

File	Compatible with
bpnp_MOR/0/plumed.dat
bpnp_MOR/1/plumed.dat
bpnp_MOR/2/plumed.dat
bpnp_MOR/3/plumed.dat
bpnp_MOR/4/plumed.dat
bpnp_MOR/5/plumed.dat
bpnp_MOR/6/plumed.dat
bpnp_MOR/7/plumed.dat
endo_MOR/0/plumed.dat
endo_MOR/1/plumed.dat
endo_MOR/2/plumed.dat
endo_MOR/3/plumed.dat
endo_MOR/4/plumed.dat
endo_MOR/5/plumed.dat
endo_MOR/6/plumed.dat
endo_MOR/7/plumed.dat

Last tested: 22 Aug 2026, 14:30:56

Project description and instructions
The simulations were run with GROMACS 2023 and PLUMED 2.9.1

Click here to open manual pages for actions used in this project.

Submission history
[v1] 21 Aug 2026:

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