A dynamical view of protein-protein complexes: Studies by molecular dynamics simulations.

ABSTRACT: Protein-protein interactions are at the basis of many protein functions, and the knowledge of 3D structures of protein-protein complexes provides structural, mechanical and dynamical pieces of information essential to understand these functions. Protein-protein interfaces can be seen as stable, organized regions where residues from different partners form non-covalent interactions that are responsible for interaction specificity and strength. They are commonly described as a peripheral region, whose role is to protect the core region that concentrates the most contributing interactions, from the solvent. To get insights into the dynamics of protein-protein complexes, we carried out all-atom molecular dynamics simulations in explicit solvent on eight different protein-protein complexes of d

SUBMITTER: Martin J 

PROVIDER: S-EPMC9583002 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature