Open AccessInvestigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
Author(s) -
Annachiara Tinivella,
Giulio Rastelli
Publication year - 2018
Publication title -
acs omega
Language(s) - English
Resource type - Journals
ISSN - 2470-1343
DOI - 10.1021/acsomega.8b03256
Subject(s) - allosteric regulation , chemistry , t790m , hydrogen bond , mutant , selectivity , molecular dynamics , stereochemistry , biophysics , computational chemistry , molecule , biochemistry , enzyme , epidermal growth factor receptor , receptor , biology , organic chemistry , gefitinib , gene , catalysis
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