Khattab Al-Khafaji

Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

Khattab Al-Khafaji, Tuğba Taşkın‐Tok · Computer Methods and Programs in Biomedicine · 2020 · 161 citations

Biophysical Modeling, Free Energy Landscape, Free Energy Computations +10

Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2

Khattab Al-Khafaji, Dunya AL-Duhaidahawi, Tuğba Taşkın‐Tok · Journal of Biomolecular Structure and Dynamics · 2020 · 147 citations · Full text

Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19

Md. Oliullah Rafi, Gourab Bhattacharje, Khattab Al-Khafaji et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 64 citations · Full text

Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods

Md. Oliullah Rafi, Khattab Al-Khafaji, Md. Takim Sarker et al. · RSC Advances · 2022 · 55 citations · Full text

Diterpenes/Diterpenoids and Their Derivatives as Potential Bioactive Leads against Dengue Virus: A Computational and Network Pharmacology Study

Rasel Ahmed Khan, Rajib Hossain, Abolghasem Siyadatpanah et al. · Molecules · 2021 · 47 citations · Full text