Navigation

• Home
• Projects
• Publications
  • All publications
    • Computersimulation von Neutronenstreuexperimenten an molekularen Flüssigkeiten am Beispiel von Dichlormethan
    • Program NSCATT from MOTECC 1990 - Modern Techniques in Computational Chemistry, Input/Output documentation
    • MOTECC 1990 - Modern techniques in computational chemistry
    • Effektive elektrostatische Eigenschaften von Suspensionen
    • Experience with Ewald sums
    • Multipole expansions in finite and periodic systems
    • Supramolecular interactions and atomic dynamics in proteins and peptide cystals. Jumps, lattice waves and liquid-like diffusion
    • Dynamics of Pure and Doped Polyacetylene
    • Dynamics of Proteins: Simulations versus Scattering and Spectroscopy Experiments
    • On the configurations accessible to folded and to denatured proteins
    • Structure dynamics and function of hydrogen-bonded networks in proteins and related systems
    • Inelastic Neutron Scattering and Molecular Dynamics Simulations of Pristine and Doped Polyacetylene
    • The Molecular Modeling Toolkit: a case study of a large scientific application in Python
    • Analysis of low-frequency motions in proteins by computer simulation and neutron scattering experiment
    • Conformational effects on DNA radiation damage. Influence of structure on the accessibility to OH radicals
    • High-Level Scientific Programming with Python
    • Lysozyme in solution under pressure
    • Simulations moléculaires et leur analyse
    • From electron microscopy maps to atomic structures using normal mode-based fitting
    • A potential function for computer simulation studies of proton transfer in acetylacetone
  • Preprints
• Software
• Images
• High Pressure Molecular Biophysics Conference 2008