Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning

Bercem Dutagaci; Bingbing Duan; Chenxi Qiu; Craig D. Kaplan; Michael Feig

doi:10.1371/journal.pcbi.1010999

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Open Access

Peer-reviewed

Research Article

Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning

Bercem Dutagaci ,

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

* E-mail: bercemdutagaci@gmail.com (BD); mfeiglab@gmail.com (MF)

Affiliation Department of Molecular and Cell Biology, University of California Merced, Merced, California, United States of America
⨯
Bingbing Duan,

Roles Data curation, Formal analysis, Investigation, Methodology, Validation, Writing – review & editing

Affiliation Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania, United States of America
⨯
Chenxi Qiu,

Roles Data curation, Formal analysis, Investigation, Methodology, Validation

Affiliation Department of Genetics, Harvard Medical School, Boston, Massachusetts, United States of America
⨯
Craig D. Kaplan,

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing

Affiliation Department of Biological Sciences, University of Pittsburgh, Pittsburgh, Pennsylvania, United States of America

https://orcid.org/0000-0002-7518-695X

⨯
Michael Feig

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

* E-mail: bercemdutagaci@gmail.com (BD); mfeiglab@gmail.com (MF)

Affiliation Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, United States of America

https://orcid.org/0000-0001-9380-6422

⨯

Characterization of RNA polymerase II trigger loop mutations using molecular dynamics simulations and machine learning

Bercem Dutagaci,
Bingbing Duan,
Chenxi Qiu,
Craig D. Kaplan,
Michael Feig

Published: March 22, 2023
https://doi.org/10.1371/journal.pcbi.1010999

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