Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

• Rima D. Alharthy ,

  Contributed equally to this work with: Rima D. Alharthy, Ghulam Fatima

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

  Affiliation Department of Chemistry, Science and Arts College, King Abdulaziz University, Jeddah, Saudi Arabia

  https://orcid.org/0000-0003-3165-929X

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• Ghulam Fatima ,

  Contributed equally to this work with: Rima D. Alharthy, Ghulam Fatima

  Roles Methodology, Visualization, Writing – original draft

  Affiliation Department of Biosciences, COMSATS University Islamabad, Islamabad, Pakistan

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• Numan Yousaf,

  Roles Formal analysis, Investigation, Methodology, Writing – review & editing

  Affiliation Department of Biosciences, COMSATS University Islamabad, Islamabad, Pakistan

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• Muhammad Shaheen Iqbal,

  Roles Data curation, Formal analysis, Visualization

  Affiliation Department of Biosciences, COMSATS University Islamabad, Islamabad, Pakistan

  https://orcid.org/0000-0002-3586-7531

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• Sadia Sattar,

  Roles Data curation, Formal analysis, Writing – review & editing

  Affiliation Department of Biosciences, COMSATS University Islamabad, Islamabad, Pakistan

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• Abdullah R. Alanzi,

  Roles Data curation, Funding acquisition, Validation, Writing – review & editing

  Affiliation Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia

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• Ijaz Ali,

  Roles Resources, Visualization

  Affiliation Centre for Applied Mathematics and Bioinformatics (CAMB), Gulf University for Science and Technology, Hawally, Kuwait

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• Muhammad Muddassar

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

  * E-mail: mmuddassar@gmail.com

  Affiliation Department of Biosciences, COMSATS University Islamabad, Islamabad, Pakistan

  https://orcid.org/0000-0001-7860-0522

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