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The Journal of Physical Chemistry. B|September 19, 2025
The Shaping of Enzymatic Free Energy Barriers through the Creation of Rate-Promoting Vibrations via Inter-Residue Cross-Talk on Multiple Time ScalesRakesh K Roy, Dimitri Antoniou, Steven D SchwartzACS Catalysis|June 4, 2026
Fast Motions in 5 Alpha Reductase and Its Impact on Enzyme KineticsRakesh K Roy, Dimitri Antoniou, Steven D SchwartzJournal of Chemical Theory and Computation|May 10, 2022
Method for Identifying Common Features in Reactive Trajectories of a Transition Path Sampling EnsembleDimitri Antoniou, Steven D SchwartzThe Journal of Physical Chemistry. B|February 22, 2011
Toward Identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA methodDimitri Antoniou, Steven D SchwartzThe Journal of Physical Chemistry. B|January 13, 2016
Phase Space Bottlenecks in Enzymatic ReactionsDimitri Antoniou, Steven D SchwartzThe Journal of Physical Chemistry. B|October 16, 2020
Role of Protein Motions in Catalysis by Formate DehydrogenaseDimitri Antoniou, Steven D SchwartzThe Journal of Chemical Physics|April 25, 2009
The stochastic separatrix and the reaction coordinate for complex systemsDimitri Antoniou, Steven D SchwartzThe Journal of Chemical Physics|December 17, 2009
Approximate inclusion of quantum effects in transition path samplingDimitri Antoniou, Steven D SchwartzThe Journal of Physical Chemistry. B|October 28, 2011
Protein dynamics and enzymatic chemical barrier passageDimitri Antoniou, Steven D SchwartzThe Journal of Physical Chemistry. B|November 15, 2011
The promoting vibration in human heart lactate dehydrogenase is a preferred vibrational channelArdy Davarifar, Dimitri Antoniou, Steven D SchwartzPageof 19