Towards designing of a potential new HIV-1 protease inhibitor using QSAR study in combination with Molecular docking and Molecular dynamics simulations

• Mouna Baassi,

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

  Affiliation Faculty of Sciences Ben M’Sick, Laboratory of Physical Chemistry of Materials, Hassan II University of Casablanca, Casablanca, Morocco

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• Mohamed Moussaoui,

  Roles Formal analysis, Investigation, Methodology, Validation

  Affiliation Faculty of Sciences Ben M’Sick, Laboratory of Physical Chemistry of Materials, Hassan II University of Casablanca, Casablanca, Morocco

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• Hatim Soufi,

  Roles Conceptualization, Data curation, Investigation

  Affiliation Faculty of Sciences Ben M’Sick, Laboratory of Physical Chemistry of Materials, Hassan II University of Casablanca, Casablanca, Morocco

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• Sanchaita Rajkhowa ,

  Roles Investigation, Supervision, Validation, Writing – review & editing

  * E-mail: s_rajkhowa@dibru.ac.in

  Affiliation Centre for Biotechnology and Bioinformatics, Dibrugarh University, Dibrugarh, Assam, India

  https://orcid.org/0000-0002-4834-2654

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• Ashwani Sharma,

  Roles Supervision, Writing – review & editing

  Affiliation CEO Insight BioSolutions, 35000, Rennes, France

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• Subrata Sinha,

  Roles Validation, Writing – review & editing

  Affiliation Centre for Biotechnology and Bioinformatics, Dibrugarh University, Dibrugarh, Assam, India

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• Said Belaaouad

  Roles Conceptualization, Project administration, Supervision, Writing – review & editing

  Affiliation Faculty of Sciences Ben M’Sick, Laboratory of Physical Chemistry of Materials, Hassan II University of Casablanca, Casablanca, Morocco

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