Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors

• Afolabi J. Owoloye,

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

  Affiliations Center for Genomic Research in Biomedicine (CeGRIB), College of Basic and Applied Sciences, Mountain Top University, Ibafo, Nigeria, Parasitology and Bioinformatics Unit, Department of Zoology, Faculty of Science, University of Lagos, Lagos, Nigeria, Nigerian Institute of Medical Research, Lagos, Nigeria

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• Funmilayo C. Ligali,

  Roles Investigation, Project administration, Writing – review & editing

  Affiliations Nigerian Institute of Medical Research, Lagos, Nigeria, Biochemistry Department, Faculty of Basic Medical Science, University of Lagos, Lagos, Nigeria

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• Ojochenemi A. Enejoh,

  Roles Data curation, Validation, Visualization

  Affiliation Genetics, Genomics and Bioinformatics Department, National Biotechnology Development Agency, Abuja, Nigeria

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• Adesola Z. Musa,

  Roles Writing – review & editing

  Affiliation Nigerian Institute of Medical Research, Lagos, Nigeria

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• Oluwagbemiga Aina,

  Roles Writing – review & editing

  Affiliation Nigerian Institute of Medical Research, Lagos, Nigeria

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• Emmanuel T. Idowu,

  Roles Writing – review & editing

  Affiliation Parasitology and Bioinformatics Unit, Department of Zoology, Faculty of Science, University of Lagos, Lagos, Nigeria

  https://orcid.org/0000-0003-3269-0598

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• Kolapo M. Oyebola

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

  * E-mail: oyebolakolapo@yahoo.com, kmoyebola@mtu.edu.ng

  Affiliations Center for Genomic Research in Biomedicine (CeGRIB), College of Basic and Applied Sciences, Mountain Top University, Ibafo, Nigeria, Nigerian Institute of Medical Research, Lagos, Nigeria

  https://orcid.org/0000-0002-1003-2570

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