Welcome

We are a computational lab at UTMB. We are part of the Department of Biochemistry & Molecular Biology and the Sealy Center for Structural Biology and Molecular Biophysics. We develop computational methods, incorporating chemistry-, physics-based, data- and AI-driven approaches, and apply them to study Protein-Protein Interactions regarding their molecular biophysics and interaction pathways. Our long-term goal is to 1) understand disease mechanisms by exploiting the predicted PPI networks, and 2) narrow down key proteins and target them for mutation design, vaccine development, or drug discovery. We are particularly interested in Host-Pathogen Interactions and epigenetics. So far ongoing projects include the PPI interactome explorations for pathogens of malaria and toxoplasma; chemistry-based AI model for protein binding affinity predication; and integrating RNA sequencing and multi-omics data with our predicted PPI networks to explore the biological mechanisms that drive diseases.