Project ID: plumID:21.026
Name: Probing allosteric regulations with coevolution-driven molecular simulations
Keywords: metadynamics, coevolution, allostery, adenylate cyclase
PLUMED version: 2.4
Contributor: Francesco Colizzi
Submitted on: 22 Jun 2021
Last revised: 09 Dec 2021
Publication: F. Colizzi, M. Orozco, Probing allosteric regulations with coevolution-driven molecular simulations. Science Advances. 7 (2021)
PLUMED input files
Last tested: 20 Jan 2023, 09:15:30
Project description and instructions
Simulations have been performed with GROMACS 2018.3 and PLUMED 2.4.3.
[v1] 22 Jun 2021: original submission
[v2] 09 Dec 2021: updated doi
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