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QM/MM Molecular Dynamics Studies of Metal Binding Proteins

Mixed quantum-classical (quantum mechanical/molecular mechanical (QM/MM)) simulations have strongly contributed to providing insights into the understanding of several structural and mechanistic aspects of biological molecules. They played a particularly important role in metal binding proteins, whe...

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Detalles Bibliográficos
Autores principales: Vidossich, Pietro, Magistrato, Alessandra
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4192665/
https://www.ncbi.nlm.nih.gov/pubmed/25006697
http://dx.doi.org/10.3390/biom4030616