By Massimiliano Bonomi, Institut Pasteur, Paris, France Understanding the molecular mechanisms by which biological systems carry out their functions is often essential for the rational targeting of associated diseases. In many cases, determining the three- dimensional (3D) structure of these systems provides valuable insights. However, it is often the interplay between structural and dynamical properties […]

  By Rommie Amaro, Endowed Chair, Distinguished Professorship in Theoretical and Computational Chemistry, Department of Molecular Biology, UC San Diego, USA   Advances in multiscale computational microscopy are transforming our ability to visualize and understand biomolecular systems in their native contexts. In this talk, I will highlight recent progress in in situ molecular dynamics (MD), where […]