Assessment Of Mutation Probabilities Of Kras G12 Missense Mutants And Their Long-Time Scale Dynamics By Atomistic Molecular Simulations And Markov State Modeling: Datasets.
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资源简介：
Datasets related to the publication [1].<br>
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)
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[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. <em>PLoS Comput Biol Submitted</em> (2018)
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Zenodo
创建时间：
2018-08-16
