Molecular dynamics shows complex interplay and long-range effects of post-translational modifications in yeast protein interactions.

ABSTRACT: Post-translational modifications (PTMs) play a vital, yet often overlooked role in the living cells through modulation of protein properties, such as localization and affinity towards their interactors, thereby enabling quick adaptation to changing environmental conditions. We have previously benchmarked a computational framework for the prediction of PTMs' effects on the stability of protein-protein interactions, which has molecular dynamics simulations followed by free energy calculations at its core. In the present work, we apply this framework to publicly available data on Saccharomyces cerevisiae protein structures and PTM sites, identified in both normal and stress conditions. We predict proteome-wide effects of acetylations and phosphorylations on protein-protein interactions and fi

SUBMITTER: Sostaric N 

PROVIDER: S-EPMC8143416 | biostudies-literature | 2021 May

REPOSITORIES: biostudies-literature