Drug action is inherently multiscale: it connects molecular interactions to emergent
properties at cellular and larger scales. Simulation techniques at each of these different …

Cryo-electron tomography is a powerful technique that can faithfully image the native
cellular environment at nanometer resolution. Unlike many other imaging approaches, cryo …

The recent rapid development of single-particle electron cryo-microscopy (cryo-EM) now
allows structures to be solved by this method at resolutions close to 3 Å. Here, a number of …

Abstract Three-dimensional Electron Microscopy (3DEM) has become a key experimental
method in structural biology for a broad spectrum of biological specimens from molecules to …

Introduction to Proteins provides a comprehensive and state-of-the-art introduction to the
structure, function, and motion of proteins for students, faculty, and researchers at all levels …

In recent years, the use of integrative, information-driven computational approaches for
modeling the structure of biomolecules has been increasing in popularity. These are now …

We introduce a computational toolset, named GROmaρs, to obtain and compare time-
averaged density maps from molecular dynamics simulations. GROmaρs efficiently …

This study aims to develop molecular model of asphalt binder and investigate the
reasonable simulation scale of molecular dynamics (MD) in researching the viscosity …

As the resolutions of Three Dimensional Electron Microscopic reconstructions of biological
macromolecules are being improved, there is a need for better fitting and refinement …

Vaccination is historically one of the most important medical interventions for the prevention
of infectious disease. Previously, vaccines were typically made of rather crude mixtures of …