Soyasapogenol-B as a Potential Multitarget Therapeutic Agent for Neurodegenerative Disorders: Molecular Docking and Dynamics Study. - Danish Iqbal; Syed Mohd Danish Rizvi; Md Tabish Rehman; M. Salman Khan; Abdulaziz Bin Dukhyil; Mohamed Fahad AlAjmi; Bader Mohammed Alshehri; Saeed Banawas; Qamar Zia; Mohammed Alsaweed; Yahya Madkhali; Suliman A. Alsagaby; et al. (Entropy, 2022)

CropGCNN: color space-based crop disease classification using group convolutional neural network. - Naeem Ahmad 005; Shubham Singh; Mohamed Fahad AlAjmi; Afzal Hussain; Khalid Raza (PeerJ Comput. Sci., 2024)

Exploring spirocyclic isoquinoline-piperidine compounds in tuberculosis therapy: ADMET profiling, docking, DFT, MD simulations, and MMGBSA analysis. - Sri Mounika Bellapukonda; Siva Singothu; Anuradha Singampalli; Rani Bandela; Pardeep Kumar; Venkata Madhavi Yaddanapudi; Vasundhra Bhandari; Srinivas Nanduri; Mohamed Enneiymy; Mohamed Fahad AlAjmi; Ali Oubella (Comput. Biol. Chem., 2025)

Synthesis, X-ray diffraction, and computational studies of acyclovir and HBG analogs derived from Triazolyl-1,4-benzothiazine and their oxidized forms for breast cancer and SARS-CoV-2. - Ezaddine Irrou; Younesse Ait Elmachkouri; Olivier Blaqcue; Ali Oubella; Md Tabish Rehman; Mohamed Fahad AlAjmi; Nada Kheira Sebbar; Mohamed Labd Taha (Comput. Biol. Chem., 2025)