AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo; Baxter Huntington; Alexander Perminov; Kenya Smith; Nicholas Hastings; Patrick Dennis; Nancy Kelley-Loughnane; Rajiv Berry

doi:10.1371/journal.pone.0301866

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Open Access

Peer-reviewed

Research Article

AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo ,

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Conceptualization, Data curation, Formal analysis, Methodology, Software, Visualization, Writing – original draft

* E-mail: haobo.guo.ctr@us.af.mil (HBG); nancy.kelley-loughnane.1@us.af.mil (NKL); rajiv.berry@us.af.mil (RB)

Affiliations Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America, UES Inc., Dayton, OH, United States of America

https://orcid.org/0000-0003-1321-1758

⨯
Baxter Huntington ,

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Data curation, Writing – review & editing

Affiliations Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America, Miami University, Oxford, OH, United States of America

https://orcid.org/0009-0002-4234-9019

⨯
Alexander Perminov ,

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Data curation, Writing – review & editing

Affiliations Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America, Miami University, Oxford, OH, United States of America
⨯
Kenya Smith ,

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Data curation

Affiliation United States Air Force Academy, Colorado Springs, CO, United States of America
⨯
Nicholas Hastings ,

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Data curation

Affiliation United States Air Force Academy, Colorado Springs, CO, United States of America
⨯
Patrick Dennis,

Roles Writing – review & editing

Affiliation Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America
⨯
Nancy Kelley-Loughnane ,

Roles Project administration, Resources, Writing – review & editing

* E-mail: haobo.guo.ctr@us.af.mil (HBG); nancy.kelley-loughnane.1@us.af.mil (NKL); rajiv.berry@us.af.mil (RB)

Affiliation Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America
⨯
Rajiv Berry

Contributed equally to this work with: Hao-Bo Guo, Baxter Huntington, Alexander Perminov, Kenya Smith, Nicholas Hastings, Rajiv Berry

Roles Conceptualization, Data curation, Investigation, Resources, Supervision, Validation, Writing – review & editing

* E-mail: haobo.guo.ctr@us.af.mil (HBG); nancy.kelley-loughnane.1@us.af.mil (NKL); rajiv.berry@us.af.mil (RB)

Affiliation Material and Manufacturing Directorate, Air Force Research Laboratory, WPAFB, Mason, OH, United States of America
⨯

AlphaFold2 modeling and molecular dynamics simulations of an intrinsically disordered protein

Hao-Bo Guo,
Baxter Huntington,
Alexander Perminov,
Kenya Smith,
Nicholas Hastings,
Patrick Dennis,
Nancy Kelley-Loughnane,
Rajiv Berry

Published: May 13, 2024
https://doi.org/10.1371/journal.pone.0301866

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