The adaptive buffered force QM/MM method in the CP2K and AMBER software packages

© 2015 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 36(2015), 9 vom: 05. Apr., Seite 633-48
Auteur principal: Mones, Letif (Auteur)
Autres auteurs: Jones, Andrew, Götz, Andreas W, Laino, Teodoro, Walker, Ross C, Leimkuhler, Ben, Csányi, Gábor, Bernstein, Noam
Format: Article en ligne
Langue:English
Publié: 2015
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. adaptive quantum-mechanics/molecular-mechanics force-mixing multiscale quantum-mechanics/molecular-mechanics Organophosphorus Compounds Water plus... 059QF0KO0R dimethyl phosphate HI4K2C9UEI Zinc J41CSQ7QDS