Cell-on-computer
Cell-on-computer
Glycolytic multi-enzyme complex in a cancer cell model
We are primarily a computational chemistry group. Our research program centers on developing and applying computational chemistry methods to build and simulate models of crowded cell environments. Currently, we are applying our models to study protein misfolding and aggregation pathways, enzyme dynamics and mechanisms, and ensembles of intrinsically disordered proteins. Using our "cells-on-computers", we aim to address the current challenges in characterizing biomolecular "hidden states" that arise from limitations of spatial-temporal resolutions of traditional experiments and in silico methods.