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Quantum mechanics of proteins in explicit water: The role of plasmon-like solute-solvent interactions

Quantum-mechanical van der Waals dispersion interactions play an essential role in intraprotein and protein-water interactions—the two main factors affecting the structure and dynamics of proteins in water. Typically, these interactions are only treated phenomenologically, via pairwise potential ter...

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Detalles Bibliográficos
Autores principales: Stöhr, Martin, Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6910842/
https://www.ncbi.nlm.nih.gov/pubmed/31853494
http://dx.doi.org/10.1126/sciadv.aax0024

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