MDFF for cryo-EM

The molecular dynamics flexible fitting (MDFF) method can be used to flexibly fit atomic structures into density maps. The method consists of adding external forces proportional to the gradient of the density map into a molecular dynamics (MD) simulation of the atomic structure.

xMDFF for X-ray Crystallography

xMDFF is an MDFF-based approach for determining structures from low-resolution crystallographic data. xMDFF employs a real-space refinement scheme that flexibly fits atomic models into an iteratively updating electron density map. It addresses significant large-scale deformations of the initial model to fit the low-resolution density.

Use the menu above to navigate the MDFF website. For examples of MDFF applications, visit the websites on the research projects page.

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Recent News and Announcements: Workshop on MDFF (Nov 2016)

MDFF will be presented during the upcoming workshop in San Francisco taking place December 12-16. An overview of the method will be given in a lecture in the morning, followed by the tutorials in the afternoon.