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Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
[Image: see text] Many simulation methods concerning solvated molecules are based on the assumption that the solvated species and the solvent can be characterized by some representative structures of the solute and some embedding potential corresponding to this structure. While the averaging of the...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10413860/ https://www.ncbi.nlm.nih.gov/pubmed/37441785 http://dx.doi.org/10.1021/acs.jctc.3c00285 |