Understanding the interactions between viruses and materials remains in its infancy, particularly in scenarios involving polarizable surfaces. Here we develop molecular models and novel analysis to characterize hydrophobic and hydrophilic interactions for the advances surface design.

Nanomechanical properties of bio-compatible polymers play crucial roles in tissue scaffolds,  skin healing and filtration devices. Here we dev. models to explore the phase-behavior of PVA vs. relative humidity to determine the existing regimes of hydration & adsorption of water mols from AFM exp. 

Multiscale models captures the crucial contribution of basepairing (folding) for overcoming entropic barriers during adsorbtion of RNA fragments onto surfaces. Mechanisms found also in RNA-protein/mebrane int. 

Theoretical models capture the local electrostatic forces between a nanoprobe-capsid, boosts the emerging field of high-resolution physical virology.