QM and QM/MM umbrella sampling MD study of the formation of Hg(II)–thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH
Filip Šebesta(Charles University), Jaroslav V. Burda(University of Helsinki), Yoshiyuki Tanaka(Tohoku University), Vladimı́r Sychrovský(Tohoku University), Jakub Šebera(Tohoku University)
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