Rapid QM/MM approach for biomolecular systems under periodic boundary conditions Combination of the density-functional tight-binding theory and particle mesh Ewald method

Rapid QM/MM approach for biomolecular systems under periodic boundary conditions : Combination of the density-functional tight-binding theory and particle mesh Ewald method

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 31 vom: 05. Dez., Seite 2701-2711
Auteur principal: Nishizawa, Hiroaki (Auteur)
Autres auteurs: Okumura, Hisashi
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't biomolecule density-functional tight-binding theory molecular dynamics particle mesh Ewald method periodic boundary condition quantum mechanical/molecular mechanical treatment
Accès en ligne Volltext