Bayesian inference in integrative structural biology
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Bayesian inference in integrative structural biology
- Goal: Molecular mechanism, understand, modulate, evolution, design.
- Experimental data: X-ray crystallography, NMR, Cryo-EM, SAXS, FRET, HDX-MS, mutagenesis, cross-linking, etc.
- In-silico modeling:
- Co-evolution between residues
- Molecular dynamics:
- Simulate the motion of atoms
- Integrative structural biology:
- Combine multiple experimental data
- Representation of the protein structure
- Atomic
- Residue level
- Protein level
- Translates the experimental data into a representation
- Sampling the conformational space
- Analysis of the ensemble of structures