The structure and dynamics of condensed phases of small molecules and of proteins in strongly denatured, partially denatured and native states are examined by combining computer simulation with scattering and absorption experiments. The simulation methods employ polymer theory, molecular dynamics and harmonic analysis and the results used to interpret coherent and incoherent neutron scattering, X-ray diffuse scattering and far-infrared absorption measurements. The results are discussed in the context of current questions in protein folding and function.
Jeremy C. Smith
Group Leader, Molecular Simulation
Centre d'Etudes Nucleaires de Saclay
Secion de Biophysique des Proteines et des Membranes
Commissariat a l'Energie Atomique, France
