431 citations · 934 across the 11 of their papers we have counts for
3 papers · 1 filter
Computing spatially resolved rotational hydration entropies from atomistic simulations
Leonard P. Heinz, Helmut Grubmüller
For a first principles understanding of macromolecular processes, a quantitative understanding of the underlying free energy landscape and in particular its entropy contribution is…
Heterogeneous and rate-dependent streptavidin-biotin unbinding revealed by high-speed force spectroscopy and atomistic simulations
Felix Rico, Andreas Russek, Laura Gonzalez +2
Receptor-ligand interactions are essential for biological function and their binding strength is commonly explained in terms of static lock-and-key models based on molecular comple…
Molecular Simulations of the Ribosome and Associated Translation Factors
Lars V. Bock, Michal H. Kolář, Helmut Grubmüller
The ribosome is a macromolecular complex which is responsible for protein synthesis in all living cells according to their transcribed genetic information. Using X-ray crystallogra…