Browsing Exact and Earth Sciences by Author "Oliveira, Tiago Espinosa de"
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Investigation of the interaction of 2-(2’-Hydroxyphenyl)-benzoxazoles and their derivatives with B-DNA by docking and molecular dynamics
Grasel, Fábio dos Santos; Oliveira, Tiago Espinosa de; Netz, Paulo Augusto (2015) [Journal article]In this work we carried out a study covering conformational analysis, docking calculations and molecular dynamics (MD) simulations of six excited state intramolecular proton transfer (ESIPT)-fluorescent 2-(2’-hydroxyphen ...