PLUMED-NEST-TEST-SITE

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
MT-A104V_RUN2/plumed.dat
MT-T102I_RUN1/plumed.dat
MT-T102I_RUN2/plumed.dat
MT-T12I_RUN1/plumed.dat
MT-T12I_RUN2/plumed.dat
WT-A104_RUN1/plumed.dat
WT-A104_RUN2/plumed.dat
WT-T102_RUN1/plumed.dat
WT-T102_RUN2/plumed.dat
WT-T12_RUN1/plumed.dat
WT-T12_RUN2/plumed.dat

Last tested: 22 Apr 2025, 10:05:49

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

Click here to open manual pages for actions used in this project.

Submission history
[v1] 21 Dec 2022: original submission

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