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Dimitri Antoniou

Research Associate Professor

Degrees and Appointments

  • Ph.D. (Theoretical Condensed Matter Physics) 1991, Indiana University

Applications of statistical physics to chemical and biological systems:
- Effect of fast motions in enzymatic catalysis
- Rare reactive events in enzymes: transition path sampling
- Algorithms for multivariable data analysis of enzymatic motions


D. Antoniou and S.D Schwartz
Phase space bottlenecks In enzymatic reactions,
J. Phys. Chem. B   DOI: 10.1021/acs.jpcb.5b11157 (2016)

Z. Wang, D. Antoniou, S.D. Schwartz and V.L. Schramm
Hydride transfer In DHFR by transition path sampling, kinetic isotope effects, and heavy enzyme studies,
Biochemistry 55, 157-166 (2016)

M. Dzierlenga, Antoniou and S.D. Schwartz
Another look at the mechanisms of hydride transfer enzymes with quantum and classical Transition Path Sampling,
J. Phys. Chem. Lett. 6, 1177-1181 (2015)

I. Zoi, M. Motley, D. Antoniou, V.L. Schramm and S.D. Schwartz
Enzyme homologues have distinct reaction paths through their transition states,
J. Phys. Chem. B 119, 3662-3668 (2015)

M. Dametto, D. Antoniou and S.D. Schwartz
Barrier crossing In DHFR does not involve a rate-promoting vibration,
Mol. Phys. 110, 531-536 (2012)

D. Antoniou, X. Ge, V.L. Schramm and S.D. Schwartz
Mass modulation of protein dynamics associated with barrier crossing on PNP
J. Phys. Chem. Lett. 3, 3538-3544 (2012)

D. Antoniou and S.D. Schwartz
Protein dynamics and enzymatic chemical barrier passage,
J. Phys. Chem. B 115, 15147-15158 (2011)

A. Davarifar, D. Antoniou and S.D. Schwartz
The promoting vibration In LDH is a preferred vibrational channel,
J. Phys. Chem. B 115, 15439-15444 (2011)

D. Antoniou and S.D. Schwartz
Towards identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method
J. Phys. Chem. B 115, 2465-2469 (2011)

D. Antoniou and S.D. Schwartz
Approximate inclusion of quantum effects In Transition Path Sampling
J. Chem. Phys. 131, 224111 (2011)

D. Antoniou amd S.D. Schwartz.
The stochastic separatrix and the reaction coordinate for complex systems
J. Chem. Phys. 130, 151103 (2009)