Three-dimensional electron diffraction (3D ED) is a measurement and analysis technique in
transmission electron microscopy that is used for determining atomic structures from small …

Cryo-electron microscopy and tomography have allowed us to unveil the remarkable
structure of icosahedral viruses. However, in the past few years, the idea that these viruses …

Classical molecular dynamics (MD) simulations provide unmatched spatial and time
resolution of protein structure and function. However, the accuracy of MD simulations often …

Single‐particle analysis (SPA) is a fundamental method of cryo‐electron microscopy
developed to resolve the structures of biological macromolecules. This method has seen …

The charge states of titratable amino acid residues play a key role in the function of
membrane-bound bioenergetic proteins. However, determination of these charge states …

Hydrogen (H) atoms are abundant in macromolecules and often play critical roles in enzyme
catalysis, ligand-recognition processes and protein–protein interactions. However, their …

Photosystem II starts the photosynthetic electron transport chain that converts solar energy
into chemical energy and thus sustains life on Earth. It catalyzes two chemical reactions …

Deciphering the three-dimensional structures of macromolecules is of paramount
importance for gaining insights into their functions and roles in human health and disease …

The Coulomb potential maps generated by electron microscopy (EM) experiments contain
not only information about the position but also about the charge state of the atom. This …

Knowledge of hydrogen locations and protonation states is critical for a fundamental
understanding of biological macromolecular function/interactions, and neutron …