Kern, P.

A pseudo-particle approach for studying protein-ligand models truncated to their active sites

A molecular dynamics method has been developed to describe the structural and dynamic properties of protein-ligand complexes that are truncated to their active sites.

Kern, P.

MD simulations in Pseudo-Particle Fluids: Applications to active-site Protein Complexes

Truncated protein-ligand active-site complexes were studied by molecular dynamics simulations.

Kern, P.