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Probing protein stability: towards a computational atomistic, reliable, affordable, and improvable model
We present an improved application of a recently proposed computational method designed to evaluate the change of free energy as a function of the average value of a suitably chosen collective variable in proteins. The method is based on a full atomistic description of the protein and its environmen...
Autores principales: | Nobili, Germano, Botticelli, Simone, La Penna, Giovanni, Morante, Silvia, Rossi, Giancarlo, Salina, Gaetano |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10267363/ https://www.ncbi.nlm.nih.gov/pubmed/37325476 http://dx.doi.org/10.3389/fmolb.2023.1122269 |
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