Published August 16, 2018
| Version 1.0.0
Dataset
Open
Assessment of mutation probabilities of KRAS G12 missense mutants and their long-time scale dynamics by atomistic molecular simulations and Markov state modeling: Datasets.
Creators
- 1. University of Eastern Finland
- 2. Tampere University of Technology
- 3. University Hospital Tübingen; Eberhard Karls University Tübingen
- 4. Tampere University of Technology; University of Helsinki; MEMPHYS-Center for Biomembrane Physics
- 5. University of Eastern Finland; University Hospital Tübingen
Description
Datasets related to the publication [1].
Including:
- KRAS G12X mutations derived from COSMIC v.79 [http://cancer.sanger.ac.uk/cosmic/] (KRAS_G12X_mut_COSMICv79..xlsx)
- RMSFs (300-2000ns) of GDP-systems (300_2000rmsf_GDP_systems_RAW_AVG_SE.xlsx)
- RMSFs (300-2000ns) of GTP-systems (300_2000RMSF_GTP_systems_RAW_AVG_SE.xlsx)
- PyInteraph analysis data for salt-bridges and hydrophobic clusters (.dat files for each system in the PyInteraph_data.zip-file)
- Backbone trajectories for each system (residues 4-164; frames for every 1ns). Last number (e.g. _1) refers to the replica of the simulated system.
- backbone_4-164.gro/.pdb/.tpr -files (resid 4-164)
[1] Pantsar T et al. Assessment of mutation probabilities of KRAS G12 missense mutants and their long-time scale dynamics by atomistic molecular simulations and Markov state modeling. PLoS Comput Biol Submitted (2018)
Files
PyInteraph_data.zip
Files
(336.0 MB)
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