Project ID: plumID:22.040
Name: From Closed to Open. Omicron Mutations Increase Interdomain Interactions and Reduce Epitope Exposure
Archive: https://github.com/milafternoon/plumed-spike-omicron/archive/refs/heads/main.zip
Category: bio
Keywords: SARS-CoV-2, Spike, Omicron
PLUMED version: 2.8.0
Contributor: Miłosz Wieczór
Submitted on: 11 Nov 2022
Publication: M. Wieczór, P. K. Tang, M. Orozco, P. Cossio, From Closed to Open: Omicron Mutations Increase Interdomain Interactions and Reduce Epitope Exposure. SSRN Electronic Journal (2022)
PLUMED input files
| File | Compatible with |
|---|---|
| ktr-meta-omi/plumed.dat |   |
| ktr-meta-wt/plumed.dat | |
| mw-wtmeta-omi/plumed.dat | |
| mw-wtmeta-wt/plumed.dat | |
Last tested: 14 Nov 2024, 11:34:57
Project description and instructions
For space-saving reasons, starting geometries were provided only for the 1st walker (18 per system were used in total). In the mw-* directories, XXX should be replaced to the walker’s index (0-17). Code versions. PLUMED 2.8.0 and GROMACS 2021.4
Submission history
[v1] 11 Nov 2022: original submission
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