‘Molecular Docking’
Analyzing the Effects of Mutations on the Binding Abilities of Drugs in Multidrug-Resistant Tuberculosis (MDR-TB) Using Computational Simulations
Using AlphaFold protein structure construction and HADDOCK ligand docking, I identified two novel drug resistance mutations in MDR-TB.
Posted by buchanle on Friday, June 20th, 2025 in May 2025, Drug Resistance, MDR-TB, Molecular Docking, Protein Folding
Computation simulations of IL-13Rα2 receptor+ CAR T-cell targeting high-grade glioma
This work uses computer simulations to investigate the interactions between CAR T-cells expressing CD45 and CD62 receptors and the IL-13Rα2 receptor, offering insights into the best way to target high-grade gliomas using CAR T-cell therapy.
Posted by buchanle on Thursday, June 19th, 2025 in May 2025, CAR T-cell Therapy, Glioma, Molecular Docking, Molecular Dynamics