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Computed Protein–Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems
[Image: see text] Understanding the thermodynamic signature of protein–peptide binding events is a major challenge in computational chemistry. The complexity generated by both components possessing many degrees of freedom poses a significant issue for methods that attempt to directly compute the ent...
| 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/PMC10565830/ https://www.ncbi.nlm.nih.gov/pubmed/37759363 http://dx.doi.org/10.1021/acs.jcim.3c01041 |