Sampling rare conformational transitions with a quantum computer

Structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, Molecular Dynamics (MD) simulations enable us to investigate these thermally activated processes with an atomic level of resolution. In practice, an exponentially large fract...

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Detalles Bibliográficos
Autores principales: Ghamari, Danial, Hauke, Philipp, Covino, Roberto, Faccioli, Pietro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9522734/
https://www.ncbi.nlm.nih.gov/pubmed/36175529
http://dx.doi.org/10.1038/s41598-022-20032-x

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9522734/
https://www.ncbi.nlm.nih.gov/pubmed/36175529
http://dx.doi.org/10.1038/s41598-022-20032-x

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