Project ID: plumID:19.038
Name: native state dynamics of human and mouse b2m
Archive: https://github.com/carlocamilloni/papers-data/raw/master/zip-for-nest/2019/achour2019_mb2m.zip
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 |   |
| achour2019_mb2m/mb2m/plumed.dat | |
Last tested: 22 Apr 2024, 21:02:28
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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