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Biochemical and Biophysical Research Communications|November 19, 2025
Multifaceted potency of green synthesized pyridine derived Schiff base: A comprehensive study of antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and Enzymatic properties with density Functional Theory and bioinformatics insightsK J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Bioorganic Chemistry|January 29, 2025
Design, Synthesis, Biocompatibility, molecular docking and molecular dynamics studies of novel Benzo[b]thiophene-2-carbaldehyde derivatives targeting human IgM Fc DomainsK J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, et al.
Future Medicinal Chemistry|February 3, 2026
Synthesis and biological screening of new 5-oximidazoline molecules possessing sulfadiazine moiety for cancer treatmentArwa Sultan Alqahtani, Abdullah Yahya Abdullah Alzahrani, Rabah N Alsulami, et al.
Physical Chemistry Chemical Physics : PCCP|May 29, 2026
Interpretable machine-learning prediction of DFT energies per atom and identification of magic numbers in coinage-metal nanoclusters (N ≤ 55) from the open quantum cluster databaseAli A Khairbek, Maha I Al-Zaben, Abdullah Yahya Abdullah Alzahrani, et al.
International Journal of Biological Macromolecules|October 30, 2024
Poly(chitosan-N-vinylcaprolactam-methacrylic acid) microgels as microreactor for Ag(I) ions extraction and in-situ silver nanoparticles formation to reduce the toxinsMuhammad Arif, Hamid Raza, Sana Ben Moussa, et al.
Biochemical and Biophysical Research Communications|August 21, 2025
Synthesis of Vanillin derivative Schiff's bases from threonine, and valine: Structural study and multiscale computational modelingR Karthika, S Nandhini, S Suriya, et al.
3 Biotech|August 2, 2026
In-silico molecular design approach of some phytoconstituents from Nardostachys jatamansi as HIV/AIDS agentsMohammad Asif, Mazen Almehmadi, Abdullah Yahya Abdullah Alzahrani, et al.
Journal of Molecular Modeling|November 25, 2025
Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictionsAli A Khairbek, Ali Moulhim, Homam Ibraheem, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|June 1, 2023
New fluorescent probe for sensing of mefenamic acid in aqueous medium: An integrated experimental and theoretical analysisSanwa Rafique, Abdullah Yahya Abdullah Alzahrani, Khadija, et al.
Dalton Transactions (Cambridge, England : 2003)|July 1, 2026
Ligand-dependent electronic structure, bonding, and optical properties of M(L)(CO)2 complexes (L = acac, Cp, Cp; M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt): a systematic DFT/TD-DFT studyRenjith Thomas, Ali A Khairbek, Abdullah Yahya Abdullah Alzahrani, et al.
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