Kavli Affiliate: Feng Wang | First 5 Authors: Sallam Alagawani, Vladislav Vasilyev, Feng Wang, , | Summary: Optical spectra (UV-vis and fluorescence) are sensitive to the chemical environment and conformation of fluorophores and therefore, are ideal probes for their conformation and solvent responses. Tyrosine kinase inhibitors (TKI) such as AG-1478 of epidermal growth factor receptor […]
Continue.. Benchmarking the performance of DFT functionals for absorption and fluorescence spectra of EGFR inhibitor AG-1478 using TD-DFT