Project ID: plumID:20.029
Name: High Conformational Flexibility of the E2F1/DP1/DNA complex
Archive: https://zenodo.org/records/10879504/files/E2F1-DP1_PLUMED-NEST.zip
Category: bio
Keywords: SAXS, protein-DNA complex, hySAXS, ensemble determination
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 29 Oct 2020
Last revised: 26 Mar 2024
Publication: D. Saad, C. Paissoni, A. Chaves-Sanjuan, M. Nardini, R. Mantovani, N. Gnesutta, C. Camilloni, High Conformational Flexibility of the E2F1/DP1/DNA Complex. Journal of Molecular Biology. 433, 167119 (2021)
PLUMED input files
| File | Compatible with |
|---|---|
| E2F1-DP1_PLUMED-NEST/MULTI_REPLICA/plumed-main.dat |   |
| …2F1-DP1_PLUMED-NEST/SINGLE_REPLICA/plumed-main.dat | |
Last tested: 17 Apr 2024, 07:28:35
Project description and instructions
this is a metadynamics metainference calculation using SAXS for a protein-DNA complex structure refinement and ensemble determination. Simulations can be run using GROMACS 2019.x and PLUMED-ISDB. This uses multiple replica simulations i.e. -multidir
Submission history
[v1] 29 Oct 2020: original submission
[v2] 26 Mar 2024: fix to make the input work with current plumed
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