Computational identification of 2,4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free energy calculation, DFT study and molecular dynamic simulation.
Rahul PawaraIqrar AhmadSanjay SuranaHarun M PatelPublished in: In silico pharmacology (2021)
The online version contains supplementary material available at 10.1007/s40203-021-00113-x.