3079 Genetic Medicine
(919) 966 5044
Research: Modeling of Biomolecular Complexes, Molecular Dynamics Simulations, and Computational Drug Design
The R. L. Juliano Structural Bioinformatics Core provides advanced computational modeling and data analysis support to investigators across basic, translational, and clinical research programs. The Core specializes in structural bioinformatics, molecular dynamics (MD) simulations, protein structure prediction, and AI-assisted drug designing to enable atomic-level understanding of biomolecular systems.
Our services support a wide range of applications, including protein–protein and protein–ligand interaction analysis, structure-based drug discovery, mutation impact assessment, conformational dynamics, and integrative modeling of experimental data. We work closely with investigators to design customized computational workflows that complement experimental approaches such as cryo-EM, X-ray crystallography, NMR, and biochemical assays.
The Core plays a key role in NIH- and foundation-funded research projects at UNC, with a strong focus on cancer biology, cardiovascular disease, neurobiology, ion channel physiology, and genetic disorders. Recent projects include studies of oncogenic RAS signaling, lipid transport mechanisms, ion channel regulation, and therapeutic target identification. Core-supported research has resulted in publications in leading high-profile journals.
In addition to research support, the Core provides training and mentorship in computational biophysics and structural modeling to graduate students, postdoctoral fellows, and faculty, strengthening UNC’s interdisciplinary research ecosystem.
