Project ID: plumID:22.042
Name: Metadynamics of NSP10 and variants
Archive: https://zenodo.org/record/7467003/files/PLUMED_INPUT_FILES.zip
Category: bio
Keywords: metadynamics, NSP10, crystal structure, variants
PLUMED version: 2.7.3
Contributor: Shozeb Haider
Submitted on: 21 Dec 2022
Publication: H. Wang, S. R. A. Rizvi, D. Dong, J. Lou, Q. Wang, W. Sopipong, Y. Su, F. Najar, P. K. Agarwal, F. Kozielski, S. Haider, Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16 (2023)

PLUMED input files

File Compatible with
MT-A104V_RUN1/plumed.dat tested on v2.9 tested on master
MT-A104V_RUN2/plumed.dat tested on v2.9 tested on master
MT-T102I_RUN1/plumed.dat tested on v2.9 tested on master
MT-T102I_RUN2/plumed.dat tested on v2.9 tested on master
MT-T12I_RUN1/plumed.dat tested on v2.9 tested on master
MT-T12I_RUN2/plumed.dat tested on v2.9 tested on master
WT-A104_RUN1/plumed.dat tested on v2.9 tested on master
WT-A104_RUN2/plumed.dat tested on v2.9 tested on master
WT-T102_RUN1/plumed.dat tested on v2.9 tested on master
WT-T102_RUN2/plumed.dat tested on v2.9 tested on master
WT-T12_RUN1/plumed.dat tested on v2.9 tested on master
WT-T12_RUN2/plumed.dat tested on v2.9 tested on master

Last tested: 28 Feb 2024, 06:49:21

Project description and instructions
The data set contains all the PLUMED input files. The simulations were run as replicates.

Submission history
[v1] 21 Dec 2022: original submission

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plumeDnest:22.042