kale.kundert (at) ucsf.edu
I am interested in computationally engineering the extent to which different conformations of a protein are present at equilibrium. This technology has many applications, but a prime example is the design of an artificial switch protein. The activity of the switch could be tuned by changing the equilibrium between the "on" and "off" conformations. Another good example is the modulation of binding between two partners that interact via conformational selection. I am working both to develop algorithms that can predict protein conformational equilibria and to pursue the two example applications described above.
- Ó Conchúir, S, Barlow, KA, Pache, RA, Ollikainen, N, Kundert, K, O'Meara, MJ, Smith, CA, Kortemme, T. A Web Resource for Standardized Benchmark Datasets, Metrics, and Rosetta Protocols for Macromolecular Modeling and Design. PLoS One. 2015 Sep 3;10(9):e0130433. doi: 10.1371/journal.pone.0130433