Visualizing Conformational Space of Functional Biomolecular Complexes by Deep Manifold Learning.

ABSTRACT: The cellular functions are executed by biological macromolecular complexes in nonequilibrium dynamic processes, which exhibit a vast diversity of conformational states. Solving the conformational continuum of important biomolecular complexes at the atomic level is essential to understanding their functional mechanisms and guiding structure-based drug discovery. Here, we introduce a deep manifold learning framework, named AlphaCryo4D, which enables atomic-level cryogenic electron microscopy (cryo-EM) reconstructions that approximately visualize the conformational space of biomolecular complexes of interest. AlphaCryo4D integrates 3D deep residual learning with manifold embedding of pseudo-energy landscapes, which simultaneously improves 3D classification accuracy and reconstruction resoluti

SUBMITTER: Wu Z 

PROVIDER: S-EPMC9408802 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature