Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5’-phosphate

• Teresa Milano ,

  Contributed equally to this work with: Teresa Milano, Adnan Gulzar

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

  Affiliation Dipartimento di Scienze biochimiche “A. Rossi Fanelli”, Sapienza Università di Roma, Italy

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• Adnan Gulzar ,

  Contributed equally to this work with: Teresa Milano, Adnan Gulzar

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

  Current address: Institute of Physics, Albert Ludwigs University, Freiburg, Germany

  Affiliation Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila, L’Aquila, Italy

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• Daniele Narzi,

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

  Current address: Institute of Chemical Sciences and Engineering, Ecole Polytechnique Federale de Lausanne EPFL, Lausanne, Switzerland

  Affiliation Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila, L’Aquila, Italy

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• Leonardo Guidoni,

  Roles Formal analysis, Funding acquisition, Methodology, Resources, Software, Supervision, Validation, Writing – original draft, Writing – review & editing

  Affiliation Dipartimento di Scienze Fisiche e Chimiche, Università degli Studi dell’Aquila, L’Aquila, Italy

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• Stefano Pascarella

  Roles Conceptualization, Formal analysis, Funding acquisition, Methodology, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

  * E-mail: Stefano.Pascarella@uniroma1.it

  Affiliation Dipartimento di Scienze biochimiche “A. Rossi Fanelli”, Sapienza Università di Roma, Italy

  http://orcid.org/0000-0002-6822-4022

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