Peptidomimetics represent an important field in chemistry, pharmacology and material
science as they circumvent the limitations of traditional peptides used in therapy. Self …

The origins of our nearly ten‐year research program of chemical and biological
investigations into peptides based on homologated proteinogenic amino acids are …

Over the past 4 years the GROMOS96 force field has been successfully used in
biomolecular simulations, for example in peptide folding studies and detailed protein …

We present the latest version of the Groningen Molecular Simulation program package,
GROMOS05. It has been developed for the dynamical modelling of (bio) molecules using …

The rapid development of parallel computing systems made it possible to recreate and
predict physical processes on computers. Nowadays, computer simulations complement …

The quality of biomolecular dynamics simulations relies critically on the force field that is
used to describe the interactions between particles in the system. Force fields, which are …

The principal secondary structural motifs adopted by peptides assembled from β‐amino acid
units are discussed: the 14‐, 12‐, 10‐, 12/10‐, and 8‐helices, as well as the hairpin turn …

The structural and thermodynamic properties of a 6-residue β-peptide that was designed to
form a hairpin conformation have been studied by NMR spectroscopy and MD simulation in …

A complete overview of all possible periodic structures with characteristic H‐bonding
patterns is provided for oligomers composed of γ‐amino acids (γ‐peptides) and their …

Das Buch behandelt Methoden des wissenschaftlichen Rechnens in der Moleküldynamik,
einem Bereich, der in vielen Anwendungen der Chemie, der Biowissenschaften, der …