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Elucidating the fundamental forces in protein crystal formation: the case of crambin

Molecular simulations of proteins have been usually accomplished through empirical or semi-empirical potentials, due to the large size and inherent complexity of these biological systems. On the other hand, a theoretical description of proteins based on quantum-mechanical methods would however provi...

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Detalles Bibliográficos
Autores principales: Delle Piane, Massimo, Corno, Marta, Orlando, Roberto, Dovesi, Roberto, Ugliengo, Piero
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5963673/
https://www.ncbi.nlm.nih.gov/pubmed/29899894
http://dx.doi.org/10.1039/c5sc03447g

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