A novel method for in silico assessment of Methionine oxidation risk in monoclonal antibodies: Improvement over the 2-shell model

• Davide Tavella ,

  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: davide.tavella@abbvie.com (DT); christopher.negron@abbvie.com (CN)

  Affiliation AbbVie Bioresearch Center, Worcester, Massachusetts, United States of America

  https://orcid.org/0000-0002-2030-2087

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• David R. Ouellette,

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

  Affiliation AbbVie Bioresearch Center, Worcester, Massachusetts, United States of America

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• Raffaella Garofalo,

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

  Affiliation AbbVie Deutschland GmbH & Co. KG, Analytical Innovation and Mass Spectrometry, Knollstrasse, Ludwigshafen, Germany

  https://orcid.org/0000-0002-3491-8368

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• Kai Zhu,

  Roles Conceptualization, Investigation, Methodology, Resources, Software, Writing – original draft, Writing – review & editing

  Affiliation Schrödinger, Inc., New York, New York, United States of America

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• Jianwen Xu,

  Roles Conceptualization, Investigation, Writing – original draft, Writing – review & editing

  Affiliation AbbVie Bioresearch Center, Worcester, Massachusetts, United States of America

  https://orcid.org/0000-0003-3547-6415

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• Eliud O. Oloo,

  Roles Conceptualization, Methodology, Resources, Writing – original draft, Writing – review & editing

  Affiliation Schrödinger, Inc., New York, New York, United States of America

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• Christopher Negron ,

  Roles Conceptualization, Formal analysis, Investigation, Methodology, Writing – original draft, Writing – review & editing

  * E-mail: davide.tavella@abbvie.com (DT); christopher.negron@abbvie.com (CN)

  Affiliation AbbVie Bioresearch Center, Worcester, Massachusetts, United States of America

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• Peter M. Ihnat

  Roles Conceptualization, Investigation, Writing – original draft, Writing – review & editing

  Affiliation Regeneron Pharmaceuticals Inc., Tarrytown, New York, United States of America

  https://orcid.org/0000-0003-1928-4325

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