PLUMED-NEST

Project ID: plumID:23.006
Name: Transcription factor unbinding
Archive: https://github.com/mallu2/Transcriptionfactor_unbinding/archive/main.zip (browse)
Category: bio
Keywords: metadynamics, DNA, conformational changes
PLUMED version: 2.7.2
Contributor: Malin Lüking
Submitted on: 15 Feb 2023
Publication: unpublished

PLUMED input files

File	Compatible with
…_input/PLUMED_files/NOD/alphaRMSD/plumed_print.dat
…ED_input/PLUMED_files/NOD/alphaRMSD/plumed_run.dat
…ut/PLUMED_files/OSymL/DNA_bending/plumed_print.dat
…nput/PLUMED_files/OSymL/DNA_bending/plumed_run.dat
…nput/PLUMED_files/OSymL/alphaRMSD/plumed_print.dat
…_input/PLUMED_files/OSymL/alphaRMSD/plumed_run.dat
…PLUMED_files/OSymL/hinge_contacts/plumed_print.dat
…t/PLUMED_files/OSymL/hinge_contacts/plumed_run.dat
…input/PLUMED_files/OSymL/specific/plumed_print.dat
…D_input/PLUMED_files/OSymL/specific/plumed_run.dat

Last tested: 28 Mar 2023, 07:01:57

Project description and instructions
This repository contains the starting structures and GROMACS input files to run conventional molecular dynamics simulations, MD simulations with NMR restraints and metadynamics on a complex between the transcription factor LacI and different sequences of DNA.

Submission history
[v1] 15 Feb 2023: original submission

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