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

© 2016 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 37(2016), 31 vom: 05. Dez., Seite 2701-2711
1. Verfasser: Nishizawa, Hiroaki (VerfasserIn)
Weitere Verfasser: Okumura, Hisashi
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte: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
Online verfügbar Volltext