"Rapid QM/MM approach for biomolecular systems under periodic boundary ..."

Hiroaki Nishizawa, Hisashi Okumura (2016)

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DOI: 10.1002/JCC.24497

access: closed

type: Journal Article

metadata version: 2021-07-25

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Hiroaki Nishizawa, Hisashi Okumura:
Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density-functional tight-binding theory and particle mesh Ewald method. J. Comput. Chem. 37(31): 2701-2711 (2016)

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