Aflatoxin B1–Formamidopyrimidine DNA Adducts: Relationships between Structures, Free Energies, and Melting Temperatures

Aflatoxin B1–Formamidopyrimidine DNA Adducts: Relationships between Structures, Free Energies, and Melting Temperatures

Thermal stabilities of DNA duplexes containing Gua (g), α- (a) or β-anomer of formamidopyrimidine-N7-9-hydroxy-aflatoxin B1 (b) differ markedly (Tm: a < g < b ), but the underlying molecular origin of this experimentally observed phenomenon is yet to be identi...

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Bibliographic Details
Main Authors: Martin Klvana, Urban Bren
Format: Article
Language:English
Published: MDPI AG 2019-01-01
Series:Molecules
Subjects:
adduct
aflatoxin B1
DNA
formamidopyrimidine
linear interaction energy
linear response approximation
free energy
molecular dynamics simulation
molecular structure
thermal stability
Online Access:http://www.mdpi.com/1420-3049/24/1/150

Internet

http://www.mdpi.com/1420-3049/24/1/150

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