Project ID: plumID:20.021
Name: Mapping the transition state for a binding reaction between ancient intrinsically disordered proteins.
Archive: https://zenodo.org/record/3941575/files/PLUMED_NEST_AncestralTS.zip
Category: bio
Keywords: phi-values, restrained MD, transition-state, protein folding, disordered proteins, protein evolution
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 13 Jul 2020
Publication: E. Karlsson, C. Paissoni, A. M. Erkelens, Z. A. Tehranizadeh, F. A. Sorgenfrei, E. Andersson, W. Ye, C. Camilloni, P. Jemth, Mapping the transition state for a binding reaction between ancient intrinsically disordered proteins. Journal of Biological Chemistry. 295, 17698–17712 (2020)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed_K10.dat |   |
| plumed_K200.dat | |
| plumed_K50.dat | |
Last tested: 22 Apr 2024, 20:48:24
Project description and instructions
this is a restrained MD simulation using simulated annealing employed to model the transition state of a protein using phi-value data it can be run using gromacs 2018 or more recent
Submission history
[v1] 13 Jul 2020: original submission
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