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Comparison of the binding energies of approved mpox drugs and phytochemicals through molecular docking, molecular dynamics simulation, and ADMET studies: An in silico approach

  • Ranjan K. Mohapatra
  • , Ahmed Mahal
  • , Azaj Ansari
  • , Manjeet Kumar
  • , Jyoti Prakash Guru
  • , Ashish K. Sarangi
  • , Aly Abdou
  • , Snehasish Mishra
  • , Mohammed Aljeldah
  • , Bashayer M. AlShehail
  • , Mohammed Alissa
  • , Mohammed Garout
  • , Ahmed Alsayyah
  • , Ahmad A. Alshehri
  • , Ahmed Saif
  • , Abdulaziz Alqahtani
  • , Fahd A. Alshehri
  • , Aref A. Alamri
  • , Ali A. Rabaan
  • Biju Patnaik University of Technology
  • Cihan University-Erbil
  • Central University of Haryana
  • Centurion University of Technology and Management
  • Sohag University
  • Kalinga Institute of Industrial Technology
  • University of Hafr Al Batin
  • Imam Abdulrahman Bin Faisal University
  • Umm Al-Qura University
  • Najran University
  • King Khalid University
  • East Jeddah General Hospital
  • Riyadh Regional Laboratory
  • Johns Hopkins Aramco Healthcare
  • Alfaisal University
  • The University of Haripur

Research output: Contribution to journalArticlepeer-review

98 Scopus citations

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Pharmacology, Toxicology and Pharmaceutical Science