Mechanism of Ligand Binding to Theophylline RNA Aptamer - Akhter, Sana; Tang, Zhichao; Wang, Jinan; Haboro, Mercy; Holmstrom, Erik D; Wang, Jingxin; Miao, Yinglong (Journal of chemical information and modeling, 2024)
Keywords: Binding; Caffeine; Chemistry; Computer Science; Free energy; Kinetics; Ligands; Molecular dynamics; Pharmaceutical Modeling; Pharmacology & Pharmacy; Rate constants; Simulation; Theophylline