A benchmark for the size of the QM system required for...

Journal of Molecular Modeling 2019 / 6 Vol. 25; Iss. 6

A benchmark for the size of the QM system required for accurate hybrid QM/MM calculations on the metal site of the protein copper, zinc superoxide dismutase

Mera-Adasme, Raúl, Domínguez, Moisés, Denis-Alpizar, Otoniel
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Volume:
25
Language:
english
Journal:
Journal of Molecular Modeling
DOI:
10.1007/s00894-019-4066-8
Date:
June, 2019
File:
PDF, 1.46 MB
english, 2019
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