Forces to reckon with: Supramolecular complexes, such as the one shown, are normally
based on a combination of different interactions such as ion pairing, hydrogen bonds, and …

Studying the weak binding affinities between carbohydrates and proteins has been a central
theme in sustained efforts to uncover intricate details of this class of biomolecular interaction …

Molecular docking is a key tool in structural molecular biology and computer-assisted drug
design. The goal of ligand—protein docking is to predict the predominant binding mode (s) …

This article presents a reoptimization of the GROMOS 53A6 force field for hexopyranose‐
based carbohydrates (nearly equivalent to 45A4 for pure carbohydrate systems) into a new …

The characterization of the 3D structure of oligosaccharides, their conjugates and analogs is
particularly challenging for traditional experimental methods. Molecular simulation methods …

Abstract Kräfte‐Sammelsurium: Supramolekulare Komplexe, wie der gezeigte, beruhen
meist auf einer Kombination unterschiedlichster Wechselwirkungen, wie Ionenpaarbildung …

Proteins are widely consumed for their nutritional benefits, and they possess many
applications such as emulsifiers, foaming agents, fat replacers, and thickeners which aid in …

Docking algorithms that aim to be applicable to a broad range of ligands suffer reduced
accuracy because they are unable to incorporate ligand‐specific conformational energies …

Glycans are repeating carbohydrate structures added as post-translational modifications
(PTMs) to proteins, forming glycoproteins. Self-glycans found on human cells, and viral …

The field of glycobiology is concerned with the study of the structure, properties, and
biological functions of the family of biomolecules called carbohydrates. Bioinformatics for …