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Dynamic Structure and Stability of DNA Duplexes Bearing a Dinuclear Hg(II)-Mediated Base Pair

Bachmann, J; Schonrath, I; Muller, J; Doltsinis, NL

Doltsinis, NL (corresponding author), Westfalische Wilhelms Univ Munster, Inst Solid State Theory, Wilhelm Klemm Str 10, D-48149 Munster, Germany.; Muller, J (corresponding author), Westfalische Wilhelms Univ Munster, Inst Anorgan & Analyt Chem, Corrensstr 30, D-48149 Munster, Germany.

MOLECULES, 2020; 25 (21):

Abstract

Quantum mechanical (QM) and hybrid quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulations of a recently reported dinuclear mer......

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