Simulation atomic force microscopy for atomic reconstruction of biomolecular structures from resolution-limited experimental images.

ABSTRACT: Atomic force microscopy (AFM) can visualize the dynamics of single biomolecules under near-physiological conditions. However, the scanning tip probes only the molecular surface with limited resolution, missing details required to fully deduce functional mechanisms from imaging alone. To overcome such drawbacks, we developed a computational framework to reconstruct 3D atomistic structures from AFM surface scans, employing simulation AFM and automatized fitting to experimental images. We provide applications to AFM images ranging from single molecular machines, protein filaments, to large-scale assemblies of 2D protein lattices, and demonstrate how the obtained full atomistic information advances the molecular understanding beyond the original topographic AFM image. We show that simulation A

SUBMITTER: Amyot R 

PROVIDER: S-EPMC8959186 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature