Another emerging focus in our group is the use of computational and structural tools to design novel biological reagents for therapeutic and non-therapeutic applications.
A representative set of publications is provided below:
Teotico, D.G., Frazier, M.L., Ding, F., Dokholyan, N.V., Temple, B.R.S., and Redinbo, M.R. (2008).
Active nuclear receptors exhibit highly correlated AF-2 domain motions.
PLoS Computational Biology, 4, e1000111.
Wierdl, M., Tsurkan L., Hyatt, J.L., Edwards, C.C., Hatfield, M.J., Morton, C.L., Houghton, P.J., Danks, M.K., Redinbo, M.R., and Potter, P.M.
An improved human carboxylesterase for enzyme/prodrug therapy with CPT-11.
Cancer Gene Therapy, 15, 183-192.
Fleming, C.D., Edwards, C.C., Kirby, S.D., Maxwell, D.M., Potter, P.M., Cerasoli, D.M., and Redinbo, M.R. (2007).
Crystal structures of human carboxylesterase 1 in covalent complexes with the chemical warfare agents soman and tabun.
Biochemistry, 46, 5063-5071.
Ortlund, E.A., Bridgham, J.T., Redinbo, M.R., and Thornton, J.W. (2007).
Crystal structure of an ancient protein: evolution by conformational epistasis.
Science, 317, 1544-1548.