Exploring ligand binding pathways on proteins using hypersound-accelerated molecular dynamics
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DOI: 10.1038/s41467-021-23157-1
Abstract: 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) are… read more here.
Keywords: molecular dynamics; ligand binding; binding; exploring ligand ... See more keywords