Molecular dynamics, MM/PBSA and in vitro validation of a novel quinazoline-based EGFR tyrosine kinase inhibitor identified using structure-based in silico screening

Narittira Ornnork, Duangnapa Kiriwan, Kriengsak Lirdprapamongkol, Kiattawee Choowongkomon, Jisnuson Svasti, Chatchakorn Eurtivong