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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...
Autores principales: | Delle Piane, Massimo, Corno, Marta, Orlando, Roberto, Dovesi, Roberto, Ugliengo, Piero |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2016
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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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