Article

Molecular basis of small-molecule binding to α-synuclein

2021-01-24

Abstract excerpt

Intrinsically disordered proteins (IDPs) are implicated in many human diseases. They have generally not been amenable to conventional structure-based drug design, however, because their intrinsic conformational variability has precluded an atomic-level understanding of their binding to small molecules. Here we present long-timescale, atomic-level molecular dynamics (MD) simulations of monomeric α-synuclein (an IDP...

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Literature Corpus work: abc1c737-0916-5b09-99b1-facca8718aad
DOI: 10.1101/2021.01.22.426549

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