Theoretical framework for analyzing structural compliance properties of proteins.

ABSTRACT: We propose methods for directly analyzing structural compliance (SC) properties of elastic network models of proteins, and we also propose methods for extracting information about motion properties from the SC properties. The analysis of SC properties involves describing the relationships between the applied forces and the deformations. When decomposing the motion according to the magnitude of SC (SC mode decomposition), we can obtain information about the motion properties under the assumption that the lower SC mode motions or the softer motions occur easily. For practical applications, the methods are formulated in a general form. The parts where forces are applied and those where deformations are evaluated are separated from each other for enabling the analyses of allosteric interaction

SUBMITTER: Arikawa K 

PROVIDER: S-EPMC5873042 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature