Project ID: plumID:20.030
Name: Converging experimental and computational views of the knotting mechanism of the smallest knotted protein
Keywords: phi-values, transition state, knotted proteins
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 02 Nov 2020
Publication: C. Paissoni et al., Converging experimental and computational views of the knotting mechanism of a small knotted protein, Biophysical Journal 120, 2276–2286 (2021)
PLUMED input files
Last tested: 22 Jul 2021, 09:08:41
Project description and instructions
this is a phi-value restrained annealing MD simulations using GROMACS + PLUMED. The restraint strength is increased gradually.
[v1] 02 Nov 2020: original submission
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