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q-bio.BM2022
Methods for Cryo-EM Single Particle Reconstruction of Macromolecules having Continuous Heterogeneity
Bogdan Toader, Fred J. Sigworth, Roy R. Lederman
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 mac…
q-bio.QM2022
Integrating molecular models into CryoEM heterogeneity analysis using scalable high-resolution deep Gaussian mixture models
Muyuan Chen, Bogdan Toader, Roy Lederman
Resolving the structural variability of proteins is often key to understanding the structure-function relationship of those macromolecular machines. Single particle analysis using…
stat.CO2022
Several Remarks on the Numerical Integrator in Lagrangian Monte Carlo
James A. Brofos, Roy R. Lederman
Riemannian manifold Hamiltonian Monte Carlo (RMHMC) is a powerful method of Bayesian inference that exploits underlying geometric information of the posterior distribution in order…