This track will explore the theoretical underpinnings of non-covalent interactions, including hydrogen bonding, van der Waals forces, and ?-? stacking. Emphasis will be placed on the role these interactions play in molecular recognition and stability.

Participants will discuss innovative methodologies for energy calculations, focusing on binding energy calculations and energy decomposition analysis. The track aims to highlight advancements in computational techniques that enhance the accuracy of theoretical predictions.

This session will cover the latest computational strategies in molecular docking, emphasizing the significance of intermolecular forces in predicting binding affinities. Attendees will gain insights into the integration of theoretical modeling with experimental data.

This track will delve into the application of quantum chemistry in understanding non-covalent interactions. Discussions will include computational methods that elucidate the electronic factors influencing molecular interactions.

Participants will explore the principles of supramolecular chemistry, focusing on host-guest interactions and their practical applications. The track will highlight case studies that demonstrate the relevance of non-covalent interactions in material science and drug design.

This session will investigate how solvent environments influence non-covalent interactions and molecular recognition processes. The impact of solvent effects on energy calculations and conformational analysis will be a key focus.