A new computational approach that can be used to refine the three dimensional structural models of proteins is described. When used to refine models generated from nuclear magnetic resonance data, the method can improve the accuracy of the structures in terms of the backbone conformations and the placement of core side chains. In addition, the approach can be used to generate significantly better solutions to the X-ray crystallographic phase problem in molecular replacement trials.
- Bin Qian
- Srivatsan Raman
- David Baker