Review on the QM/MM Methodologies and Their Application to Metalloproteins

The multiscaling quantum mechanics/molecular mechanics (QM/MM) approach was introduced in 1976, while the extensive acceptance of this methodology started in the 1990s. The combination of QM/MM approach with molecular dynamics (MD) simulation, otherwise known as the QM/MM/MD approach, is a powerful...

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Detalles Bibliográficos
Autores principales: Tzeliou, Christina Eleftheria, Mermigki, Markella Aliki, Tzeli, Demeter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Review
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9105939/
https://www.ncbi.nlm.nih.gov/pubmed/35566011
http://dx.doi.org/10.3390/molecules27092660

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9105939/
https://www.ncbi.nlm.nih.gov/pubmed/35566011
http://dx.doi.org/10.3390/molecules27092660

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