Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization.
Sign Up to like & getrecommendations! Published in 2023 at "Chirality"
DOI: 10.1002/chir.23540
Abstract: In this study, we exploit a recently developed fragment diabatization-based excitonic model, FrDEx, to simulate the electronic circular dichroism (ECD) spectra of three guanine-rich DNA sequences arranged in guanine quadruple helices with different topologies: thrombin… read more here.
Keywords: topology; fragment diabatization; excitonic model; quadruple helices ... See more keywords