Protein dynamics developments for the large scale and cryoEM: case study of ProDy 2.0.

ABSTRACT: Cryo-electron microscopy (cryoEM) has become a well established technique with the potential to produce structures of large and dynamic supramolecular complexes that are not amenable to traditional approaches for studying structure and dynamics. The size and low resolution of such molecular systems often make structural modelling and molecular dynamics simulations challenging and computationally expensive. This, together with the growing wealth of structural data arising from cryoEM and other structural biology methods, has driven a trend in the computational biophysics community towards the development of new pipelines for analysing global dynamics using coarse-grained models and methods. At the centre of this trend has been a return to elastic network models, normal mode analysis (NMA) a

SUBMITTER: Krieger JM 

PROVIDER: S-EPMC8972803 | biostudies-literature | 2022 Apr

REPOSITORIES: biostudies-literature