Chem-Biochem Home | UMBC Home | Directory | Apply (Free!) | Administrative Resources | myChem | Search 
Office: MEYR 247B
Phone: 410-455-5728
Professional Interests
Courses Taught
Research Group
Ian Thorpe
Assistant Professor
Post-Doctoral University of Utah 2009; Ph.D. The Scripps Research Institute 2005; B.S. University of Miami 1998
Thorpe, I. F. “Efficiently refining a transition path using clustering” Biophysical Journal, 105; 545-546 (2013)
Davis, B. C. and Thorpe, I. F. “Molecular simulations illuminate the role of regulatory components of the RNA polymerase from Hepatitis C Virus in influencing protein structure and dynamics” Biochemistry, 52; 4541-4552 (2013)
Fioravante, M., Shook, A., Thorpe, I. F. and Rheingans, P. “Visualizing Motional Correlations in Molecular Dynamics using Geometric Deformations” Computer Graphics Forum, 32; 311-320 (2013)
Iwona E. Weidlich, Igor V. Filippov, Jodian Brown, Neerja Kaushik-Basu, Ramalingam Krishnan,Marc C. Nicklaus and Ian F. Thorpe. 'Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods' Bioorg. Med. Chem.; 2013, 21, 3127-3137.
Davis, B. C. and Thorpe, I. F. 'Thumb inhibitor binding eliminates functionally important dynamics in the hepatitis C virus RNA polymerase' Proteins: Struct., Funct., Bioinf.; 2013, 81, 40-52
Thorpe, I. F., Goldenberg D. P. and Voth, G. A. “An exploration of transferability in peptide force fields using multiscale coarse-graining” Journal of Physical Chemistry B; 115, 11911-11926 (2011)
Bagchi, S., Thorpe, D. G., Thorpe, I. F., Voth, G. A. and Fayer, M. D. “Conformational Switching between Protein Substates Studied with 2D IR Vibrational Echo Spectroscopy and Molecular Dynamics Simulations” J. Phys. Chem. B; 2010, 114, 17187-17193
Zimmermann, J., Romesberg, F. E., Brooks C. L. III and Thorpe, I. F. “A molecular description of flexibility in an antibody combining site” J. Phys. Chem. B; 2010, 114, 7359-70 
Thorpe, I. F., Zhou, J. and Voth, G. A. “Peptide folding using multiscale coarse-grained models” J. Phys. Chem. B, 2008, 112, 13079-13090
Maupin, C. M., Saunders, M. G., Thorpe, I. F., McKenna, R., Silverman, D. N. and Voth G. A. “Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase III” J. of the Am. Chem. Soc., 2008, 130, 11399-11408

Zhou, J., Thorpe, I. F., Izvekov, S., and Voth, G. A. “Coarse-grained peptide modeling using a systematic multiscale approach” Biophys. J., 2007, 92; 4289-4303

Thorpe, I. F. and Brooks, C. L. III. “Molecular evolution of affinity and flexibility in the immune system” Proc. Natl. Acad. Sci. USA, 2007, 104, 8821-8826
Zimmermann, J., Oakman, E. L., Thorpe, I. F., Shi, X., Abbyad, P., Brooks, C. L. III., Boxer, S. G. and Romesberg, F. E. “Antibody evolution constrains conformational heterogeneity by tailoring protein dynamics” Proc. Natl. Acad. Sci. USA, 2006, 103, 13722-13727
Ohkubo, Y. Z. and Thorpe, I. F. “Evaluating the conformational entropy of macromolecules using an energy decomposition approach” J. Chem. Phys., 2006, 124, 024910
Thorpe, I. F. and Brooks, C. L. III. “Conformational substates modulate hydride transfer in dihydrofolate reductase” J. of the Am. Chem. Soc., 2005, 127, 12997-13006
Thorpe, I. F. and Brooks, C. L. III. “The coupling of structural fluctuations to hydride transfer in dihydrofolate reductase” Proteins: Struct., Funct. Bioinf., 2004, 57; 444-457
Thorpe, I. F. and Brooks, C. L. III. “Barriers to hydride transfer in wild type and mutant dihydrofolate reductase from E. coli” J. Phys. Chem. B, 2003, 107; 14042-14051