Building Biological Relevance Into Integrative Modelling of Macromolecular Assemblies.

ABSTRACT: Recent advances in structural biophysics and integrative modelling methods now allow us to decipher the structures of large macromolecular assemblies. Understanding the dynamics and mechanisms involved in their biological function requires rigorous integration of all available data. We have developed a complete modelling pipeline that includes analyses to extract biologically significant information by consistently combining automated and interactive human-guided steps. We illustrate this idea with two examples. First, we describe the ryanodine receptor, an ion channel that controls ion flux across the cell membrane through transitions between open and closed states. The conformational changes associated with the transitions are small compared to the considerable system size of the recepto

SUBMITTER: Molza AE 

PROVIDER: S-EPMC9035671 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature