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- [31] Molecular dynamics, MM/PBSA and in vitro validation of a novel quinazoline-based EGFR tyrosine kinase inhibitor identified using structure-based in silico screening JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2020, 99 (99):
- [35] In silico design of novel quinazoline-based compounds as potential Mycobacterium tuberculosis PknB inhibitors through 2D and 3D-QSAR, molecular dynamics simulations combined with pharmacokinetic predictions JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2022, 115
- [36] Identification of the structural features of quinazoline derivatives as EGFR inhibitors using 3D-QSAR modeling, molecular docking, molecular dynamics simulations and free energy calculations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2022, 40 (21): : 11125 - 11140