The Chodera lab uses computation and experiments to develop quantitative, multiscale models of the effects of small molecules on biomolecular macromolecules and cellular pathways. To do this, the group utilizes physical models and rigorous statistical mechanics, with the overall goals of engineering novel therapeutics and tools for chemical biology, as well as understanding the physical driving forces behind ligand recognition the evolution of resistance mutations.
The Chodera group makes use of advanced algorithms for molecular dynamics simulations on graphics processing units (GPUs) and distributed computing platforms, in addition to robot-driven moderate and high-throughput experiments focusing on characterizing biophysical interactions between proteins and small molecules.
- Chodera Lab Webpage
- Complete List of Publications
- Publications on Google Scholar
- Preprints on arXiv
- Preprints on bioRxiv