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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Association for the Advancement of Science
2019
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| 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 |