Hydrophobic interactions describe the natural tendency of non-polar molecules to avoid contact with water, a phenomenon fundamental to processes from protein folding to synthetic material design.

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

The cover image of 10/2024 issue of Bioconjugate Chemistry, displaying a tunable ligand-protected gold nanocluster as a drug delivery system with high affinity to integrin αvβ3, a key regulator of ...

(Nanowerk News) Hybrid nanostructures between biomolecules and inorganic nanomaterials constitute a largely unexplored field of research, with the potential for novel applications in bioimaging, ...

Molecular dynamics simulations have become an indispensable tool for understanding the behaviour of complex systems at the atomic scale. These simulations enable researchers to probe the movement of ...