Table 1. Types of structural data used in integrative modeling.
Example methods that are informative about a variety of structural aspects of biomolecular systems are listed.
Structural information | Method |
---|---|
Atomic structures of parts of the studied system | X-ray and neutron crystallography, NMR spectroscopy, 3DEM, comparative modeling, and molecular docking |
3D maps and 2D images | Electron microscopy and tomography |
Atomic and protein distances | NMR, FRET and other fluorescence techniques, DEER, EPR, and other spectroscopic techniques; chemical crosslinks detected by mass spectrometry and disulfide bonds detected by gel electrophoresis |
Binding site mapping | NMR spectroscopy, mutagenesis, FRET |
Size, shape, and pairwise atomic distance distributions | SAS |
Shape and size | Atomic force microscopy, ion mobility mass spectrometry, fluorescence correlation spectroscopy and fluorescence anisotropy |
Component positions | Super-resolution optical microscopy, FRET imaging |
Physical proximity | Co-purification, native mass spectrometry, genetic methods, and gene/protein sequence covariance |
Solvent accessibility | Footprinting methods, including H/D exchange assessed by mass spectrometry or NMR, and even functional consequences of point mutations |
Proximity between different genome segments | Chromosome Conformation Capture and other data |
Propensities for different interaction modes | Molecular mechanics force fields, potentials of mean force, statistical potentials, and sequence co-variation |