Project ID: plumID:19.005
Name: Cmyc small molecule interaction
Archive: https://github.com/gthh2/c-myc_small_mol/archive/master.zip (browse)
Category: bio
Keywords: metadynamics, metainference, disordered protein, small molecule interaction, c-myc, cancer, IDP
PLUMED version: 2.5
Contributor: Gabriella Heller
Submitted on: 20 Apr 2019
Last revised: 25 Apr 2019
Publication:

PLUMED input files

File Compatible with
cmyc_alone/plumed/plumed_master.dat tested on v2.6 tested on master
cmyc_and_10058_F4/plumed/plumed_master.dat tested on v2.6 tested on master

Last tested: 15 Oct 2019, 20:09:37

Project description and instructions
This study uses metainference metadynamics simulations restrained with NMR chemical shift data to determine the bound and unbound ensembles of a disordered peptide in the presence and absence of a small, drug-like molecule. We used PLUMED 2.3.0-dev and GROMACS 4.6.7. PLUMED scripts have been updated to version 2.5.

Submission history
[v1] 20 Apr 2019: original submission
[v2] 25 Apr 2019: updating archive URL

Badge
Click on the image below and get the code to add the badge to your website!
plumeDnest:19.005