Abstract

This work investigates the dynamics of supramolecular complexes Calix[n]arenes that are formed by weak forces. These interactions are important for the structure and function of biological molecules and for the design of synthetic host-guest systems. Molecular dynamics simulations are used to explore the reversible binding under of these complexes external force at the atomic level and to complement experimental methods.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call