The technology of docking molecules in-silico has evolved significantly in recent years and
has become a crucial component of the drug discovery tool process that includes virtual …

The class I major histocompatibility complex (MHC) is capable of binding peptides derived
from intracellular proteins and displaying them at the cell surface. The recognition of these …

Saccharides are ubiquitous biomolecules, but little is known about their interaction with, and
assembly at, surfaces. By combining preparative mass spectrometry with scanning tunneling …

The abuse of traditional antibiotics has led to increased resistance of bacteria and viruses.
Efficient therapeutic peptide prediction is critical for peptide drug discovery. However, most …

The design of future materials for biotechnological applications via deposition of molecules
on surfaces will require not only exquisite control of the deposition procedure, but of equal …

The exploration of the energy landscape of a chemical system is essential for understanding
and predicting its observable properties. In most cases, this is a challenging task due to the …

Saccharides, also commonly known as carbohydrates, are ubiquitous biomolecules, but little
is known about their interaction with surfaces. Soft-landing electrospray ion beam deposition …

Exploring the global energy landscape of relatively large molecules at the quantum level is a
challenging problem. In this work, we report the coupling of a nonredundant conformational …

Monitoring hydrogen/deuterium exchange (HDX) undergone by a protein in solution
produces experimental data that translates into valuable information about the protein's …

Small cyclic peptides represent a promising class of therapeutic molecules with unique
chemical properties. However, the poor knowledge of their structural characteristics makes …