Methods for cryo-EM single particle reconstruction of macromolecules having continuous heterogeneity

B Toader, FJ Sigworth, RR Lederman - Journal of molecular biology, 2023 - Elsevier
Macromolecules change their shape (conformation) in the process of carrying out their
functions. The imaging by cryo-electron microscopy of rapidly-frozen, individual copies of …

Bayesian methods in integrative structure modeling

M Habeck - Biological Chemistry, 2023 - degruyter.com
There is a growing interest in characterizing the structure and dynamics of large
biomolecular assemblies and their interactions within the cellular environment. A diverse …

Integrating molecular models into CryoEM heterogeneity analysis using scalable high-resolution deep Gaussian mixture models

M Chen, B Toader, R Lederman - Journal of molecular biology, 2023 - Elsevier
Resolving the structural variability of proteins is often key to understanding the structure–
function relationship of those macromolecular machines. Single particle analysis using …

AFMfit: Deciphering conformational dynamics in AFM data using fast nonlinear NMA and FFT-based search

R Vuillemot, JL Pellequer, S Grudinin - bioRxiv, 2024 - biorxiv.org
Atomic Force Microscopy (AFM) offers a unique opportunity to study the conformational
dynamics of proteins in near-physiological conditions at the single-molecule level. However …

Molecular dynamics simulation based image analysis methods for structural studies of biological macromolecular complexesolecular complexes

R Vuillemot - 2023 - theses.hal.science
Cryo-Electron Microscopy (cryo-EM) allows conformational studies of macromolecular
complexes in their close-to-native state, essential for understanding their working …