Project ID: plumID:20.029
Name: High Conformational Flexibility of the E2F1/DP1/DNA complex
Category: bio
Keywords: SAXS, protein-DNA complex, hySAXS, ensemble determination
PLUMED version: 2.6
Contributor: Cristina Paissoni
Submitted on: 29 Oct 2020
Publication: unpublished

PLUMED input files

File Compatible with
E2F1-DP1_PLUMED-NEST/MULTI_REPLICA/plumed-main.dat tested on v2.7 tested on master
…2F1-DP1_PLUMED-NEST/SINGLE_REPLICA/plumed-main.dat tested on v2.7 tested on master

Last tested: 12 May 2021, 09:56:01

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

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