The structural basis of unique substrate recognition by Plasmodium thymidylate kinase: Molecular dynamics simulation and inhibitory studies

• Mahmoud Kandeel ,

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

  * E-mail: mkandeel@kfu.edu.sa, mahmoud.kandeal@vet.kfs.edu.eg

  Affiliations Department of Physiology, Biochemistry and Pharmacology, Faculty of Veterinary Medicine, King Faisal University, Hofuf, Alahsa, Saudi Arabia, Department of Pharmacology, Faculty of Veterinary Medicine, Kafrelsheikh University, Kafrelsheikh, Kafrelsheikh, Egypt

  http://orcid.org/0000-0003-3668-5147

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• Yukio Kitade,

  Roles Conceptualization, Formal analysis, Resources, Software, Supervision, Validation, Visualization, Writing – review & editing

  Affiliations Department of Applied Chemistry, Faculty of Engineering, Aichi Institute of Technology, Yachigusa, Yakuza, Toyota, Japan, Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, Yanagido, Gifu, Japan

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• Abdulla Al-Taher,

  Roles Formal analysis, Validation, Writing – review & editing

  Affiliation Department of Physiology, Biochemistry and Pharmacology, Faculty of Veterinary Medicine, King Faisal University, Hofuf, Alahsa, Saudi Arabia

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• Mohammed Al-Nazawi

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

  Affiliation Department of Physiology, Biochemistry and Pharmacology, Faculty of Veterinary Medicine, King Faisal University, Hofuf, Alahsa, Saudi Arabia

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