Mukhtar Oluwaseun Idris

Molecular modeling in drug discovery

Temitope Isaac Adelusi, Abdul-Quddus Kehinde Oyedele, Ibrahim Damilare Boyenle et al. · Informatics in Medicine Unlocked · 2022 · 335 citations · Full text

Molecular Docking, Drug Target, Engineering +13

Computer-aided screening for potential TMPRSS2 inhibitors: a combination of pharmacophore modeling, molecular docking and molecular dynamics simulation approaches

Mukhtar Oluwaseun Idris, Abeeb Abiodun Yekeen, Oluwaseun Suleiman Alakanse et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 88 citations · Full text

Drug Target, Active Sites, Antiviral Drug +17

CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses

Abeeb Abiodun Yekeen, Olanrewaju Ayodeji Durojaye, Mukhtar Oluwaseun Idris et al. · Computational and Structural Biotechnology Journal · 2023 · 73 citations · Full text

Molecular dynamics, quantum mechanics and docking studies of some Keap1 inhibitors – An insight into the atomistic mechanisms of their antioxidant potential

Temitope Isaac Adelusi, Misbaudeen Abdul-Hammed, Mukhtar Oluwaseun Idris et al. · Heliyon · 2021 · 44 citations · Full text

Dietary polyphenols mitigate SARS-CoV-2 main protease (Mpro)–Molecular dynamics, molecular mechanics, and density functional theory investigations

Temitope Isaac Adelusi, Abdul-Quddus Kehinde Oyedele, Ojo Emmanuel Monday et al. · Journal of Molecular Structure · 2021 · 27 citations · Full text

Protein Chemistry, Biochemistry, Natural Sciences +6