BiophysicsbioRxiv
Molecular basis of small-molecule binding to α-synuclein
P. Robustelli, A. Ibanez-de-Opakua, C. Campbell-Bezat…·D. E. Shaw
The paper uses molecular dynamics simulations to study small-molecule binding to α-synuclein, revealing dynamic interactions that align with experimental data.
DOI 10.1021/jacs.1c07591