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