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Journal of Biomolecular Structure & Dynamics|July 17, 2020
Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approachesMukhtar Oluwaseun Idris, Abeeb Abiodun Yekeen, Oluwaseun Suleiman Alakanse, et al.
Heliyon|July 1, 2021
Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors - An insight into the atomistic mechanisms of their antioxidant potentialTemitope Isaac Adelusi, Misbaudeen Abdul-Hammed, Mukhtar Oluwaseun Idris, et al.
Computational and Structural Biotechnology Journal|October 19, 2023
CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analysesAbeeb Abiodun Yekeen, Olanrewaju Ayodeji Durojaye, Mukhtar Oluwaseun Idris, et al.
Chemistryselect|May 23, 2022
Identification of a Potential mRNA-based Vaccine Candidate against the SARS-CoV-2 Spike Glycoprotein: A Reverse Vaccinology ApproachOlanrewaju Ayodeji Durojaye, Divine Mensah Sedzro, Mukhtar Oluwaseun Idris, et al.
International Journal of Biological Macromolecules|April 28, 2024
Investigation of the MDM2-binding potential of de novo designed peptides using enhanced sampling simulationsOlanrewaju Ayodeji Durojaye, Abeeb Abiodun Yekeen, Mukhtar Oluwaseun Idris, et al.
The FEBS Journal|April 4, 2023
ZBTB7A regulates primed-to-naïve transition of pluripotent stem cells via recognition of the PNT-associated sequence by zinc fingers 1-2 and recognition of γ-globin -200 gene element by zinc fingers 1-4Yang Yang, Lizhan Xiao, Yanting Xue, et al.
Amino Acids|July 27, 2023
CSC01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approachOlanrewaju Ayodeji Durojaye, Umer Ejaz, Henrietta Onyinye Uzoeto, et al.
In Silico Pharmacology|July 12, 2021
Exploring the inhibitory potentials of Momordica charantia bioactive compounds against Keap1-Kelch protein using computational approachesTemitope Isaac Adelusi, Misbaudeen Abdul-Hammed, Mukhtar Oluwaseun Idris, et al.
Journal of Molecular Structure|November 17, 2021
Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)-Molecular dynamics, molecular mechanics, and density functional theory investigationsTemitope Isaac Adelusi, Abdul-Quddus Kehinde Oyedele, Ojo Emmanuel Monday, et al.
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