Macromolecular Fitting

We develop and apply new hybrid methods to combine multiresolution structural information in collaborating with several EM labs. Multiresolution fitting is the standard way of interpreting the information contained in electron-microscopy (EM) maps of macromolecular structures employing the available atomic structural components. In a complicated jigsaw puzzle in which the lower resolution 3D EM density map of a macromolecule complex acts as a fuzzy frame to guide the assemblage of interlocking atomic-resolution pieces. When complete, this jigsaw puzzle allows characterizing at near-atomic-detail different functional states of functional macromolecules in solution. We were involved in the development of several approaches to solve this puzzle. Firstly, we helped to develop the pioneering EM modeling package Situs. Complementary rigid-body fitting ADP_EM  and flexible fitting iMODfit tools fully available on our site have been developed and successfully applied in a variety of fitting real scenarios.