Molecular mechanism of aspartame recognition by the human sweet taste receptor T1R2-T1R3 revealed by homology modeling and molecular dynamics simulations.

Journal of computer-aided molecular design2026Tong M, Duan S, Wang L, et al.

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MeSH

Amino Acid SequenceAspartameBinding SitesHumansHydrogen BondingHydrophobic and Hydrophilic InteractionsMolecular Dynamics SimulationProtein BindingProtein ConformationReceptors, G-Protein-CoupledSucroseSweetening Agents

DOI 10.1007/s10822-026-00780-y

PMID 41803465

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