OneOPES, a Combined Enhanced Sampling Method to Rule Them All

[Image: see text] Enhanced sampling techniques have revolutionized molecular dynamics (MD) simulations, enabling the study of rare events and the calculation of free energy differences in complex systems. One of the main families of enhanced sampling techniques uses physical degrees of freedom calle...

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Detalles Bibliográficos
Autores principales: Rizzi, Valerio, Aureli, Simone, Ansari, Narjes, Gervasio, Francesco Luigi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500989/
https://www.ncbi.nlm.nih.gov/pubmed/37603295
http://dx.doi.org/10.1021/acs.jctc.3c00254

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10500989/
https://www.ncbi.nlm.nih.gov/pubmed/37603295
http://dx.doi.org/10.1021/acs.jctc.3c00254

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