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Rommie E. Amaro

Assistant Professor, Pharmaceutical Sciences
Pharmaceutical Sciences

Assistant Professor, Computer Science
Donald Bren School of Information and Computer Sciences

Ph.D., University of Illinois at Urbana-Champaign, 2005, Chemistry


B.S., University of Illinois at Urbana-Champaign, 1999, Chemical Engineering

Phone: (949) 824-2559
Email: ramaro@uci.edu

University of California, Irvine
3134C Natural Sciences 1
Mail Code: 3958
Irvine, CA 92697

picture of Rommie E. Amaro

   
URL Amaro Lab website:
   
Appointments McCammon Lab, November 2005 - June 2009
   
Research
Abstract
The goals of the Amaro lab are to develop and apply of state-of-the-art computational and theoretical techniques to investigate the structure, function, and dynamics of complex biological systems. At the interface of chemistry, biology, physics, and pharmacology, our work integrates both applied and basic science components, with goals to bridge the interface between basic and clinical research. Fundamental enzymological and drug discovery studies are tightly coupled to a wide range of biochemical and biophysical experiments that allow us to engage in dynamic and exciting collaborations with various experimental labs.
   
Publications Amaro, R.E., Cheng, X., Ivanov, I., Xu, D., and McCammon, J.A., Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-type Influenza Neuraminidases via Generalized Born Molecular Dynamics and End-point Free Energy Calculations, Journal of the American Chemical Society, 131(13): 4702-4709 (2009).
   
  Swift, R., Durrant, J., Amaro, R.E., and McCammon, J.A., Towards Understanding the Conformational Dynamics of RNA Ligation, Biochemistry, 48(4): 709-719 (2009).
   
  Amaro*, R.E., Schnaufer*, Interthal, H., A., Hol, W., Stuart, K., and McCammon, J.A., Discovery of the First Inhibitors of an Essential RNA Editing Ligase in Tyrpanosoma brucei, Proceedings of the National Academies of Science, 105(45): 17278 - 17283 (2008).
   
  Cheng*, L.S., Amaro*, R.E., Xu, D., Li, W.W., Arzberger, P.A., and McCammon, J.A., Ensemble-based Virtual Screening Reveals Novel Antiviral Compounds for Avian Influenza Neuraminidase, Journal of Medicinal Chemistry, 51(13): 3878 – 3894 (2008).
   
  Amaro, R. E., Minh, D.D.L., Cheng, L.S., Lindstrom, Jr., W., Olson, A.J., Lin, J.-H., Li, W.W., and McCammon, J.A., "Remarkable Loop Flexibility in Avian Influenza N1 and its Implications for Antiviral Drug Design," Journal of the American Chemical Society, 129: 7764 – 7765 (2007).
   
  Amaro, R., Tajkhorshid, E., Luthey-Schulten, Z., “Developing the Energy Landscape for the Novel Function of a (?/?)8¬ Barrel: Ammonia Conduction through HisF”, PNAS, 100: 7599-7604, (2003).
   
   
Link to this profile http://www.faculty.uci.edu/profile.cfm?faculty_id=5643
   
Last updated 09/03/2009