Quantum Chemistry-Driven Machine Learning Approach for the Prediction of the Surface Tension and Speed of Sound in Ionic Liqu...
Journal: ACS Sustainable Chemistry & Engineering
General Research Background
My research has primarily focused on the use of computational methods to study the dynamics and conformational variety of proteins and other biopolymer systems under environmental stresses, be they molecular confinement, aqueous-salt (saline) conditions, or exposure/solvation to/in organic solvents. Of particular interest is the response of naturally abundant biopolymers and/or aggregation prone proteins/peptides under these conditions for the development of novel biomaterials (and in the case of aggregation prone peptides to also gain insights into the early stages of neurodegenerative diseases).