How to Design Peptides
Joseph Dodd-O, Amanda M Acevedo-Jake, V. Mulligan, et al.
Novel design of proteins to target receptors for treatment or tissue augmentation has come to the fore owing to advancements…
Methods in Molecular BiologySystems Biology
At the Systems Biology group, we are developing new methods to learn the networks that run life’s program.
Key aims include developing new methods to annotate genes (characterize the parts list for biology) and building new methods that learn biological networks, and eventually dynamic models (put the parts together). These network models will help us to predict the functional effect of genetic variation, design interventions and therapies, and understand how living systems respond to changes in their environment.
Research Highlights
Multibody molecular docking on a quantum annealer
Mohit Pandey, Tristan Zaborniak, V. Mulligan, et al
Molecular docking, which aims to find the most stable interacting configuration of a set of molecules, is of critical importance…
ArXivAccurate de novo design of membrane-traversing macrocycles
G. Bhardwaj, G. Bhardwaj, J. O’Connor, V. Mulligan, et al.
We use computational design coupled with experimental characterization to systematically investigate the design principles for macrocycle membrane permeability and oral…
Cell
