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Authors: Igor F. Tsigelny 1 ; Razelle Kurzrock 1 ; Åge Aleksander Skjevik 2 ; Valentina L. Kouznetsova 1 and Sadakatsu Ikeda 1

Affiliations: 1 University of California at San Diego, United States ; 2 University of California at San Diego and University of Bergen, United States

ISBN: 978-989-758-199-1

Keyword(s): Personalized Cancer Medicine, Molecular Dynamics, Structure of Proteins, Sema Domain, MET, c-Met.

Related Ontology Subjects/Areas/Topics: Case Studies ; Formal Methods ; Health Engineering and Technology Applications ; Neural Rehabilitation ; Neurotechnology, Electronics and Informatics ; Simulation and Modeling ; Simulation Tools and Platforms ; Stochastic Modeling and Simulation

Abstract: We explored a possible new method for prediction of activating mutations in cancer-related proteins. This method is based on elucidation of flexibility of proteins associated in activating complexes. Based on the theory of intermediate binding complexes, the binding process is not only related to the three-dimensional structure of proteins, but also to the four-dimensional set of possible conformations allowed by the flexible regions of the involved members of the associated complex. Using molecular dynamics simulations, we found that an Y501C mutation in the MET gene might activate it. Using this information, a specific drug that functioned as a potent MET inhibitor was prescribed and had a salutary impact on the tumor.

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Paper citation in several formats:
F. Tsigelny, I.; Kurzrock, R.; Aleksander Skjevik, Å.; L. Kouznetsova, V. and Ikeda, S. (2016). Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation.In Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH, ISBN 978-989-758-199-1, pages 71-74. DOI: 10.5220/0005959500710074

@conference{simultech16,
author={Igor F. Tsigelny. and Razelle Kurzrock. and Åge Aleksander Skjevik. and Valentina L. Kouznetsova. and Sadakatsu Ikeda.},
title={Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation},
booktitle={Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,},
year={2016},
pages={71-74},
publisher={SciTePress},
organization={INSTICC},
doi={10.5220/0005959500710074},
isbn={978-989-758-199-1},
}

TY - CONF

JO - Proceedings of the 6th International Conference on Simulation and Modeling Methodologies, Technologies and Applications - Volume 1: SIMULTECH,
TI - Molecular Dynamics Use in Personalized Cancer Medicine - Example of MET Y501C Mutation
SN - 978-989-758-199-1
AU - F. Tsigelny, I.
AU - Kurzrock, R.
AU - Aleksander Skjevik, Å.
AU - L. Kouznetsova, V.
AU - Ikeda, S.
PY - 2016
SP - 71
EP - 74
DO - 10.5220/0005959500710074

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