2013 ACS Division of Computers in Chemistry OpenEye Outstanding Junior Faculty Award 2012 Hellman Fellow 2012 Chu Lectureship, Idaho State University 2010 Presidential Early Career Award for Scientists and Engineers 2010 NIH New Innovator Awardee 2006 NIH Ruth Kirschstein Postdoctoral Fellow 2002 NCSA Performance Capability Champion Award 1999 UIUC All-Campus Teaching Award, Outstanding Teacher of Freshman (General Chemistry)

Physical/Analytical Chemistry

The Amaro lab is broadly concerned with the development and application 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 research 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.

Swift RV, Amaro RE, "Back to the future: can physical models of passive membrane permeability help reduce drug candidate attrition and move us beyond QSPR?", Chem Biol Drug Des, 2013, Vol. 81, Issue 1, 61-71 [View Abstract] Wassman CD, Baronio R, Demir Ö, Wallentine BD, Chen CK, Hall LV, Salehi F, Lin DW, Chung BP, Hatfield GW, Richard Chamberlin A, Luecke H, Lathrop RH, Kaiser P, Amaro RE, "Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53.", Nat Commun, 2013, Vol. 4, 1407 [View Abstract] Vanwart AT, Eargle J, Luthey-Schulten Z, Amaro RE, "Exploring residue component contributions to dynamical network models of allostery.", J Chem Theory Comput, 2012, Vol. 8, Issue 8, 2949-2961 [View Abstract] Amaro RE, Swift RV, Votapka L, Li WW, Walker RC, Bush RM, "Mechanism of 150-cavity formation in influenza neuraminidase.", Nat Commun, 2011, Vol. 2, 388 [View Abstract] Demir Ö, Baronio R, Salehi F, Wassman CD, Hall L, Hatfield GW, Chamberlin R, Kaiser P, Lathrop RH, Amaro RE, "Ensemble-based computational approach discriminates functional activity of p53 cancer and rescue mutants.", PLoS Comput Biol, 2011, Vol. 7, Issue 10, e1002238 [View Abstract] Swift RV, Amaro RE, "Modeling the pharmacodynamics of passive membrane permeability.", J Comput Aided Mol Des, 2011, Vol. 25, Issue 11, 1007-17 [View Abstract] Durrant JD, Hall L, Swift RV, Landon M, Schnaufer A, Amaro RE, "Novel naphthalene-based inhibitors of Trypanosoma brucei RNA editing ligase 1.", PLoS Negl Trop Dis, 2010, Vol. 4, Issue 8, e803 [View Abstract]