Conformational heterogeneity and probability distributions from single-particle cryo-electron microscopy
Single-particle cryo-electron microscopy (cryo-EM) is a technique that takes projection
images of biomolecules frozen at cryogenic temperatures. A major advantage of this …
images of biomolecules frozen at cryogenic temperatures. A major advantage of this …
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 …
functions. The imaging by cryo-electron microscopy of rapidly-frozen, individual copies of …
MDSPACE: Extracting continuous conformational landscapes from Cryo-EM single particle datasets using 3D-to-2D flexible fitting based on molecular dynamics …
This article presents an original approach for extracting atomic-resolution landscapes of
continuous conformational variability of biomolecular complexes from cryo electron …
continuous conformational variability of biomolecular complexes from cryo electron …
MDTOMO method for continuous conformational variability analysis in cryo electron subtomograms based on molecular dynamics simulations
Cryo electron tomography (cryo-ET) allows observing macromolecular complexes in their
native environment. The common routine of subtomogram averaging (STA) allows obtaining …
native environment. The common routine of subtomogram averaging (STA) allows obtaining …
ContinuousFlex: Software package for analyzing continuous conformational variability of macromolecules in cryo electron microscopy and tomography data
ContinuousFlex is a user-friendly open-source software package for analyzing continuous
conformational variability of macromolecules in cryo electron microscopy (cryo-EM) and cryo …
conformational variability of macromolecules in cryo electron microscopy (cryo-EM) and cryo …
Integrating molecular models into CryoEM heterogeneity analysis using scalable high-resolution deep Gaussian mixture models
Resolving the structural variability of proteins is often key to understanding the structure–
function relationship of those macromolecular machines. Single particle analysis using …
function relationship of those macromolecular machines. Single particle analysis using …
Novel artificial intelligence-based approaches for ab initio structure determination and atomic model building for cryo-electron microscopy
MC DiIorio, AW Kulczyk - Micromachines, 2023 - mdpi.com
Single particle cryo-electron microscopy (cryo-EM) has emerged as the prevailing method
for near-atomic structure determination, shedding light on the important molecular …
for near-atomic structure determination, shedding light on the important molecular …
CryoSTAR: leveraging structural priors and constraints for cryo-EM heterogeneous reconstruction
Resolving conformational heterogeneity in cryogenic electron microscopy datasets remains
an important challenge in structural biology. Previous methods have often been restricted to …
an important challenge in structural biology. Previous methods have often been restricted to …
From deep mutational mapping of allosteric protein landscapes to deep learning of allostery and hidden allosteric sites: zooming in on “allosteric intersection” of …
G Verkhivker, M Alshahrani, G Gupta, S Xiao… - International Journal of …, 2023 - mdpi.com
The recent advances in artificial intelligence (AI) and machine learning have driven the
design of new expert systems and automated workflows that are able to model complex …
design of new expert systems and automated workflows that are able to model complex …
Computational biophysics meets cryo‐EM revolution in the search for the functional dynamics of biomolecular systems
There is a variety of experimental and computational techniques available to explore protein
dynamics, each presenting advantages and limitations. One promising experimental …
dynamics, each presenting advantages and limitations. One promising experimental …