Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations

Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations

Bibliographic Details
Main Authors: Annachiara Tinivella, Giulio Rastelli
Format: Article
Language:English
Published: American Chemical Society 2018-12-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.8b03256
id doaj-559a7ac0a50f4bbfb25b3afb391772d2
record_format Article
spelling doaj-559a7ac0a50f4bbfb25b3afb391772d22020-11-25T03:50:51ZengAmerican Chemical SocietyACS Omega2470-13432018-12-01312165561656210.1021/acsomega.8b03256Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy CalculationsAnnachiara TinivellaGiulio Rastellihttp://dx.doi.org/10.1021/acsomega.8b03256
collection DOAJ
language English
format Article
sources DOAJ
author Annachiara Tinivella
Giulio Rastelli
spellingShingle Annachiara Tinivella
Giulio Rastelli
Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
ACS Omega
author_facet Annachiara Tinivella
Giulio Rastelli
author_sort Annachiara Tinivella
title Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
title_short Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
title_full Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
title_fullStr Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
title_full_unstemmed Investigating the Selectivity of Allosteric Inhibitors for Mutant T790M EGFR over Wild Type Using Molecular Dynamics and Binding Free Energy Calculations
title_sort investigating the selectivity of allosteric inhibitors for mutant t790m egfr over wild type using molecular dynamics and binding free energy calculations
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2018-12-01
url http://dx.doi.org/10.1021/acsomega.8b03256
work_keys_str_mv AT annachiaratinivella investigatingtheselectivityofallostericinhibitorsformutantt790megfroverwildtypeusingmoleculardynamicsandbindingfreeenergycalculations
AT giuliorastelli investigatingtheselectivityofallostericinhibitorsformutantt790megfroverwildtypeusingmoleculardynamicsandbindingfreeenergycalculations
_version_ 1724490428552577024

Similar Items