Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database A Al-Khdhairawi, D Sanuri, R Akbar, SD Lam, S Sugumar, N Ibrahim, ... Computational biology and chemistry 102, 107800, 2023 | 9 | 2023 |
Rational design of short antifreeze peptides derived from Rhagium inquisitor antifreeze protein LF Kong, AAQ Al-Khdhairawi, BA Tejo Biocatalysis and agricultural biotechnology 23, 101447, 2020 | 8 | 2020 |
In silico prediction of potential inhibitors for SARS-CoV-2 Omicron variant using molecular docking and dynamics simulation-based drug repurposing EAR Mohamed, IM Abdel-Rahman, MEA Zaki, A Al-Khdhairawi, ... Journal of molecular modeling 29 (3), 70, 2023 | 5 | 2023 |
Conducting the RBD of SARS-CoV-2 Omicron Variant with Phytoconstituents from Euphorbia dendroides to Repudiate the Binding of Spike Glycoprotein Using … HA Hassan, AR Hassan, EAR Mohamed, A Al-Khdhairawi, A Karkashan, ... Molecules 27 (9), 2929, 2022 | 4 | 2022 |
Elucidating novel antibacterial compounds from the NPASS database against the FimH lectin domain for the treatment of urinary tract infections: an in-silico study MK Al-Zrkani, RA Abdulkareem, D Al-Fahad, M Al Shouber, AMS Nasr, ... Journal of Biomolecular Structure and Dynamics 41 (9), 3914-3925, 2023 | 2 | 2023 |
Targeting natural plant metabolites for hunting SARS-CoV-2 Omicron BA. 1 variant inhibitors: extraction, molecular docking, molecular dynamics, and physicochemical properties study HA Hassan, AR Hassan, EAR Mohamed, A Al-Khdhairawi, HE Taha, ... Current Issues in Molecular Biology 44 (10), 5028-5047, 2022 | 2 | 2022 |
Unraveling effective extracellular signal-regulated kinase 2 inhibitors: a de novo drug design strategy enhanced by in-depth in silico analyses HA Hassan, SS Muhammed, A Al-Khdhairawi, SF Abdelwahab, ... Journal of Biomolecular Structure and Dynamics, 1-11, 2023 | | 2023 |
Exploring the therapeutic potential of galidesivir analogs against Zaire ebolavirus protein 24 (V24): database screening, molecular docking, drug-relevant property evaluation … HA Hassan, SF Abdelwahab, A Al-Khdhairawi, MK Al Zrkani, HM Rehman, ... Journal of Biomolecular Structure and Dynamics, 1-11, 2023 | | 2023 |
Collagen-Derived Cryptides: Machine-Learning Prediction and Molecular Dynamic Interaction Against Klebsiella pneumoniae Biofilm Synthesis Precursor A Al-Khdhairawi, SM Mhd-Marzuki, ZS Tan, N Shan, D Sanuri, R Akbar, ... Malaysian Applied Biology 51 (5), 59-75, 2022 | | 2022 |
Introducing novel ERK2 Inhibitors via de novo drug design supported by Molecular Docking, Physicochemical properties, and Molecular Dynamics Study E Mohamed, A Al-Khdhairawi, S Muhammed MDPI, 2022 | | 2022 |
Rational Design and Characterization of Short Antifreeze Peptides Derived From Lolium Perenne Antifreeze Protein AAQ Al-Khdhairawi, SS Ng, A Muhamad, ARM Basyaruddin, BA Tejo Cryobiology 103, 181, 2021 | | 2021 |