BioExcel Webinar #82 Cryo-EM structure refinement with density-guided simulations in GROMACS (2025-3-4)

Refinement of an initial atomistic model into a target density map is one of the key steps in cryo-EM structure reconstruction. Density-guided molecular dynamics is a widely used approach for this purpose, helping to balance physical plausibility of the model and fitting scores. In this webinar, I will provide an introduction to the density fitting functionality in GROMACS, demonstrate you a basic use-case example, and discuss available settings. I will also share density fitting results for several diverse protein systems.