Project ID: plumID:20.030
Name: Converging experimental and computational views of the knotting mechanism of the smallest knotted protein
Archive: https://zenodo.org/record/4196336/files/PLUMED_NEST_MJ0366.zip
Category: bio
Keywords: phi-values, transition state, knotted proteins
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 02 Nov 2020
Publication: C. Paissoni, S. Puri, I. Wang, S.-Y. Chen, C. Camilloni, S.-T. D. Hsu, Converging experimental and computational views of the knotting mechanism of a small knotted protein. Biophysical Journal. 120, 2276–2286 (2021)
PLUMED input files
| File | Compatible with |
|---|---|
| plumed0.dat |   |
| plumed1.dat | |
| plumed2.dat | |
Last tested: 23 Apr 2025, 10:27:55
Project description and instructions
this is a phi-value restrained annealing MD simulations using GROMACS + PLUMED. The restraint strength is increased gradually.
Submission history
[v1] 02 Nov 2020: original submission
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