Software for Real-space Refinement of Macromolecular Structures: Software to Improve the Fit of Biomolecular Models to Experimental Images
OHSU # 1742
- Michael Chapman, SM.Biochemistry & Molecular Biology
- Andrew Trzynka, SM.Biochemistry & Molecular Biology
- Brynmor Chapman, SM.Biochemistry & Molecular Biology
Researchers at Oregon Health & Science University have developed software that utilizes real-space refinement to optimize atomic models of macromolecules fit into experimental electron density maps obtained either by x-ray crystallography or 3D electron microscopy. Real-space refinement optimizes the agreement between density simulated from an atomic model and an experimental map thus improving the accuracy of models based on x-ray diffraction or even lower resolution electron microscopy. This software can either be utilized as a standalone application or can be incorporated in other programs that support the use of additional stereochemical restraints to achieve a model precision that is beyond the nominal experimental resolution.
Dr. Michael Chapman is a Professor in the Department of Biochemistry and Molecular Biology at Oregon Health & Science University. The Chapman lab develops biophysical methods for visualizing molecular interaction and applies them in two distinct areas: vial-host interactions and the fundamentals of enzyme mechanism.
OHSU Technology 1742 is available for licensing.
Chapman, M. S. Restrained Real-Space Macromolecular Atomic Refinement using a New Resolution-Dependent Electron Density Function. Acta Crystallographica.1995; A51:69-80.
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