ct8b00755_si_001.pdf (14.97 MB)
Download file

Binding Pockets in Proteins Induced by Mechanical Stress

Download (14.97 MB)
journal contribution
posted on 10.12.2018, 15:18 authored by Matteo Tiberti, Bob-Dan Lechner, Arianna Fornili
We report the first observation of a pocket that opens as a result of a mechanical force applied to an Ig-like domain from the cardiac muscle. This previously unseen mechanism of pocket formation is revealed by molecular dynamics simulations under force. Preliminary investigations show that this “mechano-pocket” is potentially druggable and could be found in other domains from the same fold family, suggesting the existence of a general mechanism of pocket formation under mechanical stress.