Minimal Ensemble Solutions to Multiple Experimental Data
Analyzes the experimentally averaged data obtained from any number of experimental techniques such as SAXS and NMR
Many (if not most) biological processes require structural, configurational, or compositional flexibility. DNA binding proteins, for example, are often highly flexible yet demonstrate only a few configurations that are functionally significant. Other systems frequently contain components that exist in multiple oligomeric states or assemblies, each with distinctly different behavior. Once such way of analyzing the averaged data obtained from such heterogeneous conditions is with a minimal ensemble, a collection of components that together are able to recapitulate the available experimental data.
MESMER (Minimal Ensemble Solutions to Multiple Experimental Restraints) seeks to assist researchers in analyzing the experimentally averaged data obtained from any number of experimental techniques. SAXS, NMR pseudocontact shifts, residual dipolar coupling, FRET, and DEER data, for example, can all be simultaneously fit by MESMER in order to provide both the range of potential structures or to identify particularly prominent states of a given system. MESMER is easy to use, open source, highly customizable, and comes with an array of tools to fit, analyze, and interpret the data and results from your system.
- Structure Determination
- Structure Refinement
- Small Angle X-Ray Scattering (SAXS)