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Journal of Biomolecular Structure & Dynamics|February 19, 2024
Unlocking therapeutic potential: computational insights into TREM2 protein targeting with FDA-approved drugs for neurodegenerationMohammed Alrouji, Sabina Yasmin, Fahad A Alhumaydhi, et al.
Frontiers in Chemistry|August 13, 2024
ROS1 kinase inhibition reimagined: identifying repurposed drug via virtual screening and molecular dynamics simulations for cancer therapeuticsMohammed Alrouji, Sabina Yasmin, Fahad A Alhumaydhi, et al.
ACS Omega|July 15, 2024
Investigating Pyruvate Dehydrogenase Kinase 3 Inhibitory Potential of Myricetin Using Integrated Computational and Spectroscopic ApproachesSaleha Anwar, Shama Khan, Afzal Hussain, et al.
ACS Omega|December 12, 2022
Identification of Thermostable Xylose Reductase from Thermothelomyces thermophilus: A Biochemical Characterization Approach to Meet Biofuel ChallengesNabeel Ali, Ayesha Aiman, Anas Shamsi, et al.
International Journal of Biological Macromolecules|September 1, 2023
Comprehensive insight into the molecular interaction of rutin with human transferrin: Implication of natural compounds in neurodegenerative diseasesAnas Shamsi, Mohammad Furkan, Rizwan Hasan Khan, et al.
ACS Omega|August 11, 2020
Biophysical Insights into Implications of PEG-400 on the α-Crystallin Structure: Multispectroscopic and Microscopic ApproachAnas Shamsi, Taj Mohammad, Saleha Anwar, et al.
Frontiers in Bioinformatics|October 10, 2025
Computational drug repurposing reveals Alectinib as a potential lead targeting Cathepsin S for therapeutic developments against cancer and chronic painMohammed Alrouji, Mohammed S Alshammari, Sharif Alhajlah, et al.
Plos One|August 5, 2025
Structure-based identification of bioactive compounds as trace amine-associated receptor 1 agonists for the therapeutic management of major depressive disorderAbdelbaset Mohamed Elasbali, Ahmed S Ali, Mohd Adnan, et al.
Scientific Reports|December 24, 2025
Identification of bioactive phytoconstituents as promising ABL2 inhibitors using virtual screening and molecular dynamics simulationAfnan Elayyan Mousa Elayyan, Abdelbaset Mohamed Elasbali, Marwah Ayed Meshhin Alanazi, et al.
ACS Omega|March 18, 2024
Understanding the Modulation of α-Synuclein Fibrillation by N-Acetyl Aspartate: A Brain MetaboliteTanzeel Khan, Rashid Waseem, Mohammad Shahid, et al.
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