| Internal enzyme motions as a source of catalytic activity: rate-promoting vibrations and hydrogen tunneling D Antoniou, SD Schwartz The Journal of Physical Chemistry B 105 (23), 5553-5558, 2001 | 173 | 2001 |
| Barrier passage and protein dynamics in enzymatically catalyzed reactions D Antoniou, S Caratzoulas, C Kalyanaraman, J S. Mincer, SD Schwartz European journal of biochemistry 269 (13), 3103-3112, 2002 | 159 | 2002 |
| Computational and theoretical methods to explore the relation between enzyme dynamics and catalysis D Antoniou, J Basner, S Núnez, SD Schwartz Chemical reviews 106 (8), 3170-3187, 2006 | 151 | 2006 |
| Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations D Antoniou, SD Schwartz Proceedings of the National Academy of Sciences 94 (23), 12360-12365, 1997 | 147 | 1997 |
| Promoting vibrations in human purine nucleoside phosphorylase. A molecular dynamics and hybrid quantum mechanical/molecular mechanical study S Núnez, D Antoniou, VL Schramm, SD Schwartz Journal of the American Chemical Society 126 (48), 15720-15729, 2004 | 90 | 2004 |
| Activated chemistry in the presence of a strongly symmetrically coupled vibration D Antoniou, SD Schwartz The Journal of chemical physics 108 (9), 3620-3625, 1998 | 65 | 1998 |
| Barrier crossing in dihydrofolate reductase does not involve a rate-promoting vibration M Dametto, D Antoniou, SD Schwartz Molecular physics 110 (9-10), 531-536, 2012 | 58 | 2012 |
| Mass modulation of protein dynamics associated with barrier crossing in purine nucleoside phosphorylase D Antoniou, X Ge, VL Schramm, SD Schwartz The journal of physical chemistry letters 3 (23), 3538-3544, 2012 | 57 | 2012 |
| A molecular dynamics quantum Kramers study of proton transfer in solution D Antoniou, SD Schwartz The Journal of chemical physics 110 (1), 465-472, 1999 | 55 | 1999 |
| Protein dynamics and enzymatic chemical barrier passage D Antoniou, SD Schwartz The Journal of Physical Chemistry B 115 (51), 15147-15158, 2011 | 53 | 2011 |
| Quantum proton transfer with spatially dependent friction: Phenol-amine in methyl chloride D Antoniou, SD Schwartz The Journal of chemical physics 110 (15), 7359-7364, 1999 | 53 | 1999 |
| Modulating enzyme catalysis through mutations designed to alter rapid protein dynamics I Zoi, J Suarez, D Antoniou, SA Cameron, VL Schramm, SD Schwartz Journal of the American Chemical Society 138, 3403-3409, 2016 | 49 | 2016 |
| Toward identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method D Antoniou, SD Schwartz The Journal of Physical Chemistry B 115 (10), 2465-2469, 2011 | 48 | 2011 |
| Electric Fields and Fast Protein Dynamics in Enzymes I Zoi, D Antoniou, SD Schwartz The journal of physical chemistry letters 8, 6165-6170, 2017 | 45 | 2017 |
| The stochastic separatrix and the reaction coordinate for complex systems D Antoniou, SD Schwartz The Journal of chemical physics 130 (15), 2009 | 41 | 2009 |
| Insight into catalytically relevant correlated motions in human purine nucleoside phosphorylase S Nunez, C Wing, D Antoniou, VL Schramm, SD Schwartz The Journal of Physical Chemistry A 110 (2), 463-472, 2006 | 39 | 2006 |
| Proton transfer in benzoic acid crystals: Another look using quantum operator theory D Antoniou, SD Schwartz The Journal of chemical physics 109 (6), 2287-2293, 1998 | 39 | 1998 |
| Nuclear-spin relaxation and spin-wave collective modes in a disordered two-dimensional electron gas D Antoniou, AH MacDonald Physical Review B 43 (14), 11686, 1991 | 39 | 1991 |
| Optimization of the turnover in artificial enzymes via directed evolution results in the coupling of protein dynamics to chemistry J Schafer, I Zoi, D Antoniou, SD Schwartz Journal of the American Chemical Society 141, 10431-10439, 2019 | 37 | 2019 |
| Hydride Transfer in DHFR by Transition Path Sampling, Kinetic Isotope Effects and Heavy Enzyme Studies Z Wang, D Antoniou, SD Schwartz, VL Schramm Biochemistry 55, 157-166, 2015 | 36 | 2015 |
