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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-05-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-021-23157-1 |