physical_validation: A Python package to assess the physical validity of molecular simulation results

Molecular simulations such as molecular dynamics (MD) and Monte Carlo (MC) simulations are powerful tools allowing the prediction of experimental observables in the study of systems such as proteins, membranes, and polymeric materials. The quality of predictions based on molecular simulations depend...

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Detalles Bibliográficos
Autores principales: Merz, Pascal T., Hsu, Wei-Tse, Thompson, Matt W., Boothroyd, Simon, Walker, Chris C., Shirts, Michael R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9632650/
https://www.ncbi.nlm.nih.gov/pubmed/36337282
http://dx.doi.org/10.21105/joss.03981

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9632650/
https://www.ncbi.nlm.nih.gov/pubmed/36337282
http://dx.doi.org/10.21105/joss.03981

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