QM/MM simulations provide insight into the mechanism of bioluminescence triggering in ctenophore photoproteins

• Maryam Molakarimi,

  Roles Data curation, Formal analysis, Investigation, Methodology, Writing – original draft

  Affiliation Department of Biochemistry, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

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• Ammar Mohseni,

  Roles Data curation, Formal analysis, Methodology, Validation

  Affiliation Department of Biochemistry, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

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• Majid Taghdir,

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

  Affiliation Department of Biophysics, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

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• Zaiddodine Pashandi,

  Roles Data curation, Formal analysis, Methodology

  Affiliation Department of Biophysics, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

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• Michael A. Gorman,

  Roles Formal analysis, Methodology, Validation, Writing – original draft

  Affiliation Australian Cancer Research Foundation Rational Drug Discovery Centre, St. Vincent’s Institute of Medical Research, Fitzroy, Victoria, Australia

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• Michael W. Parker,

  Roles Formal analysis, Validation, Visualization, Writing – review & editing

  Affiliations Australian Cancer Research Foundation Rational Drug Discovery Centre, St. Vincent’s Institute of Medical Research, Fitzroy, Victoria, Australia, Department of Biochemistry and Molecular Biology, Bio21 Molecular Science and Biotechnology Institute, The University of Melbourne, Parkville, Victoria, Australia

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• Hossein Naderi-Manesh ,

  Roles Conceptualization, Investigation, Project administration, Resources, Supervision, Validation, Visualization, Writing – review & editing

  * E-mail: sajedi_r@modares.ac.ir (RHS); naderman@modares.ac.ir (MNM)

  Affiliation Department of Biophysics, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

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• Reza H. Sajedi

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

  * E-mail: sajedi_r@modares.ac.ir (RHS); naderman@modares.ac.ir (MNM)

  Affiliation Department of Biochemistry, Faculty of Biological Sciences, Tarbiat Modares University, Tehran, Iran

  http://orcid.org/0000-0001-6774-0837

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