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Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics

Capturing the dynamic processes of biomolecular systems in atomistic detail remains difficult despite recent experimental advances. Although molecular dynamics (MD) techniques enable atomic-level observations, simulations of “slow” biomolecular processes (with timescales longer than submilliseconds)...

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Detalles Bibliográficos
Autores principales: Araki, Mitsugu, Matsumoto, Shigeyuki, Bekker, Gert-Jan, Isaka, Yuta, Sagae, Yukari, Kamiya, Narutoshi, Okuno, Yasushi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8121818/
https://www.ncbi.nlm.nih.gov/pubmed/33990583
http://dx.doi.org/10.1038/s41467-021-23157-1