Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling

• Tatu Pantsar ,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: tatu.pantsar@uef.fi (TP); antti.poso@uef.fi (AP)

  Affiliation School of Pharmacy, University of Eastern Finland, Kuopio, Finland

  http://orcid.org/0000-0002-0369-2909

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• Sami Rissanen,

  Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation Laboratory of Physics, Tampere University of Technology, Tampere, Finland

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• Daniel Dauch,

  Roles Validation, Writing – review & editing

  Affiliations Department of Internal Medicine VIII, University Hospital Tuebingen, Tuebingen, Germany, Department of Physiology I, Institute of Physiology, Eberhard Karls University Tuebingen, Tuebingen, Germany

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• Tuomo Laitinen,

  Roles Conceptualization, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  Affiliation School of Pharmacy, University of Eastern Finland, Kuopio, Finland

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• Ilpo Vattulainen,

  Roles Conceptualization, Funding acquisition, Resources, Supervision, Validation, Writing – review & editing

  Affiliations Laboratory of Physics, Tampere University of Technology, Tampere, Finland, Department of Physics, University of Helsinki, Helsinki, Finland, MEMPHYS-Center for Biomembrane Physics, Helsinki, Finland

  http://orcid.org/0000-0001-7408-3214

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• Antti Poso

  Roles Conceptualization, Funding acquisition, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

  * E-mail: tatu.pantsar@uef.fi (TP); antti.poso@uef.fi (AP)

  Affiliations School of Pharmacy, University of Eastern Finland, Kuopio, Finland, Department of Internal Medicine VIII, University Hospital Tuebingen, Tuebingen, Germany

  http://orcid.org/0000-0003-4196-4204

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