Role of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations

TitleRole of Water in the Puzzling Mechanism of the Final Aromatization Step Promoted by the Human Aromatase Enzyme. Insights from QM/MM MD Simulations
Publication TypeJournal Article
Year of Publication2015
AuthorsSgrignani, J, Iannuzzi, M, Magistrato, A
JournalJournal of Chemical Information and Modeling
Volume55
Pagination2218-2226
URLhttp://www.scopus.com/inward/record.url?eid=2-s2.0-84945558678&partnerID=40&md5=7ef470aa9bb694c745df20840c6baec4
DOI10.1021/acs.jcim.5b00249