Structural compliance: A new metric for protein flexibility.

ABSTRACT: Proteins are the active players in performing essential molecular activities throughout biology, and their dynamics has been broadly demonstrated to relate to their mechanisms. The intrinsic fluctuations have often been used to represent their dynamics and then compared to the experimental B-factors. However, proteins do not move in a vacuum and their motions are modulated by solvent that can impose forces on the structure. In this paper, we introduce a new structural concept, which has been called the structural compliance, for the evaluation of the global and local deformability of the protein structure in response to intramolecular and solvent forces. Based on the application of pairwise pulling forces to a protein elastic network, this structural quantity has been computed and sometime

SUBMITTER: Scaramozzino D 

PROVIDER: S-EPMC7649752 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature