New Advances in Normal Mode Analysis of Supermolecular Complexes and Applications to Structural Refinement

摘要

Normal mode analysis is an effective computational method for studying large-amplitude low-frequency molecular deformations that are ubiquitously involved in the functions of biological macromolecules,especially Supermolecular complexes.The recent years have witnessed a substantial advance in methodology development in the field.This review is intended to summarize some of the important advances that enable one to simulate deformations of Supermolecular complexes at expended resolution- and length-scales,with particular emphasis on the implications in structural refinement against low-to intermediate-resolution structural data such as those from electron cryomicroscopy and fibre diffraction.