Litcius/Paper detail

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 Pawara, Iqrar Ahmad, Sanjay J. Surana, Harun Patel

2021In Silico Pharmacology64 citationsDOIOpen Access PDF

Topics & Concepts

PharmacophoreT790MVirtual screeningIn silicoChemistryDocking (animal)MutagenesisStereochemistryMolecular modelComputational biologyBiochemistryCombinatorial chemistryMutantBiologyReceptorEpidermal growth factor receptorMedicineGeneGefitinibNursingComputational Drug Discovery MethodsDiverse Scientific Research StudiesPharmacology and Nanomedicine Research