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

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

Molecular dynamics (MD) techniques enable atomic-level observations, but simulations of “slow” biomolecular processes are challenging because of current computer speed limitations. Here, the authors develop a method to accelerate MD simulations by high-frequency ultrasound perturbation and reveal bi...

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Autores principales: Mitsugu Araki, Shigeyuki Matsumoto, Gert-Jan Bekker, Yuta Isaka, Yukari Sagae, Narutoshi Kamiya, Yasushi Okuno
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Science
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Acceso en línea:https://doaj.org/article/948c894a587d4e55a4cd9da8f1b04294
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