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QM/MM Simulations of Afatinib-EGFR Addition: The Role of β‑Dimethylaminomethyl Substitution.

Authors :
Ma, Shuhua
Patel, Heeral
Peeples, Craig A.
Shen, Jana
Source :
Journal of Chemical Theory & Computation; 07/09/2024, Vol. 20 Issue 13, p5528-5538, 11p
Publication Year :
2024

Details

Language :
English
ISSN :
15499618
Volume :
20
Issue :
13
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
178864568
Full Text :
https://doi.org/10.1021/acs.jctc.4c00290