Project ID: plumID:20.001
Name: Conformational stability and dynamics in solution and in crystals report similarly on unfolding and aggregation propensity of amyloidogenic proteins
Archive: https://github.com/carlocamilloni/papers-data/raw/master/zip-for-nest/2020/sala20_b2m.zip
Category: bio
Keywords: metainference, metadynamics, NMR, protein dynamics, b2m, protein crystals
PLUMED version: 2.6
Contributor: Carlo Camilloni
Submitted on: 15 Jan 2020
Last revised: 07 Sep 2020
Publication: B. M. Sala, T. Le Marchand, G. Pintacuda, C. Camilloni, A. Natalello, S. Ricagno, Conformational Stability and Dynamics in Crystals Recapitulate Protein Behavior in Solution. Biophysical Journal. 119, 978–988 (2020)
PLUMED input files
| File | Compatible with |
|---|---|
| sala20_b2m/run/plumed.dat |   |
Last tested: 22 Apr 2025, 10:21:35
Project description and instructions
this is a metadynamic metainference calculation using chemical shifts to infere the intramolecular dynamics of b2m. Simulations are performed with gromacs 2018 or newer
Click here to open manual pages for actions used in this project.
Submission history
[v1] 15 Jan 2020: original submission
[v2] 07 Sep 2020: updated doi
Badge
Click on the image below and get the code to add the badge to your website!
