Project ID: plumID:21.043
Name: Predicting the Conformational Variability of Oncogenic GTP-bound G12D Mutated KRas-4B Proteins at Cell Membranes
Archive: https://github.com/HuixiaLu/Predicting-the-Conformational-Variability-of-Oncogenic-GTP-bound-G12D-Mutated-KRas-4B-Proteins-at/raw/main/Predicting-the-Conformational-Variability-of-Oncogenic-GTP-bound-G12D-Mutated-KRas-4B-Proteins-at-main.zip
Category: chemistry
Keywords: well-tempered metadynamics, KRas-4B, anionic membrane, conformational variability
PLUMED version: 2.4
Contributor: Huixia Lu
Submitted on: 02 Nov 2021
Publication: H. Lu, J. Martí, Predicting the Conformational Variability of Oncogenic GTP-bound G12D Mutated KRas-4B Proteins at Cell Membranes, (2021)

PLUMED input files

File Compatible with
plumed.dat tested on v2.8 tested on master

Last tested: 30 Nov 2021, 15:06:27

Project description and instructions
Software used was gromacs-2018.3 patched with plumed v2.4. Well-tempered metadynamics simulations were executed using the command gmx mdrun -s 1500ns-metadynamics.tpr -plumed plumed.dat.

Submission history
[v1] 02 Nov 2021: original submission

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plumeDnest:21.043