Molecular basis of small-molecule binding to α-synuclein
P. Robustelli, A. Ibanez-de-Opakua, C. Campbell-Bezat, F. Giordanetto, S. Becker, M. Zweckstetter, A. C. Pan, 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.
bioRxiv · Jan 22, 2021Biophysics