Project ID: plumID:19.038
Name: native state dynamics of human and mouse b2m
Category: bio
Keywords: metainference, NMR, chemical shifts, metadynamics, protein dynamics, aggregation
PLUMED version: 2.4
Contributor: Carlo Camilloni
Submitted on: 07 May 2019
Publication: A. Achour, L. Broggini, X. Han, R. Sun, C. Santambrogio, J. Buratto, C. Visentin, A. Barbiroli, C. M. G. De Luca, P. Sormanni, F. Moda, A. De Simone, T. Sandalova, R. Grandori, C. Camilloni, S. Ricagno, Biochemical and biophysical comparison of human and mouse beta‐2 microglobulin reveals the molecular determinants of low amyloid propensity. The FEBS Journal. 287, 546–560 (2019)

PLUMED input files

File Compatible with
achour2019_mb2m/hb2m/plumed.dat tested on v2.9 tested on master
achour2019_mb2m/mb2m/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 07:07:36

Project description and instructions
this is a metadynamic metainference calculation using chemical shifts to infere and compare the native state dynamics of the human and mouse b2-microglobulin. This is performed using multi replicas (at least 8) and gromacs 2016.x or newer

Submission history
[v1] 07 May 2019: original submission

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