Published August 28, 2026
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MD and QM input/output files supporting the molecular basis of AMPA receptor labeling by ligand-directed acyl imidazole chemistry
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This repository contains the MD an QM input files, filtered MD trajectories, optimized structures and frequencies supporting the manuscript "Molecular basis of AMPA receptor labeling by ligand-directed acyl imidazole chemistry in living neurons" by Dulce C. Guzmán-Ocampo, David De Sancho and Xabier López