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

Autor: Ma, Shuhua, Patel, Heeral, Peeples, Craig A., Shen, Jana
Zdroj: Journal of Chemical Theory & Computation; 07/09/2024, Vol. 20 Issue 13, p5528-5538, 11p
Databáze: Supplemental Index