Photo of Dimitris Antoniou(antoniou)

Dimitris Antoniou

Associate Research Professor,
Member of the Graduate Faculty,

Chemistry & Biochemistry - Sci
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Dimitris Antoniou experts in condensed matter physics, biochemistry, biophysics, bioinformatics, computational biology, enzymology, molecular biology, computational chemistry, systems biology, structural biology, molecular dynamics, computational biophysics, condensed matter theory, physical chemistry, spectroscopy, quantum chemistry, partial differential equations, vibration, acoustics, complex systems, statistical physics, complex networks, quantum information, quantum optics, theoretical chemistry, cardiac electrophysiology, computer vision, machine learning, deep learning
Publications (50)
2022Method for Identifying Common Features in Reactive Trajectories of a Transition Path Sampling Ensemble 
2022Connecting Conformational Motions to Rapid Dynamics in Human Purine Nucleoside Phosphorylase 
2021Inverse heavy enzyme isotope effects in methylthioadenosine nucleosidases 
2020Linking Protein Dynamics to Enzyme Catalysis 
2020Role of protein motions in catalysis by Formate Dehydrogenase 
2019Optimization of the turnover in artificial enzymes via directed evolution results in the coupling of protein dynamics to chemistry 
2018Inverse enzyme isotope effects in human purine nucleoside phosphorylase with heavy asparagine labels 
2017Incorporating Fast Protein Dynamics into Enzyme Design: A Proposed Mutant Aromatic Amine Dehydrogenase 
2017Electric Fields and Fast Protein Dynamics in Enzymes 
2017Catalytic-site design for inverse heavy-enzyme isotope effects in human purine nucleoside phosphorylase 
2016Modulating enzyme catalysis through mutations designed to alter rapid protein dynamics 
2016Phase Space Bottlenecks in Enzymatic Reactions 
2015Another look at the mechanisms of hydride transfer enzymes with quantum and classical transition path sampling 
2015Enzyme homologues have distinct reaction paths through their transition states 
2015Hydride Transfer in DHFR by Transition Path Sampling, Kinetic Isotope Effects and Heavy Enzyme Studies 
2012Barrier crossing in dihydrofolate reductase does not involve a rate-promoting vibration 
2012Mass modulation of protein dynamics associated with barrier crossing in purine nucleoside phosphorylase 
2011Reply to" Comment on'Toward Identification of the Reaction Coordinate Directly from the Transition State Ensemble Using the Kernel PCA Method'" 
2011Protein dynamics and enzymatic chemical barrier passage 
2011The promoting vibration in human heart lactate dehydrogenase is a preferred vibrational channel 
2011Toward identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method 
2011Comment on “Toward identification of the reaction coordinate directly from the transition state ensemble using the kernel PCA method” 
2010Slow conformational motions that favor sub-picosecond motions important for catalysis 
2009Approximate inclusion of quantum effects in transition path sampling 
2009The stochastic separatrix and the reaction coordinate for complex systems 
2007New mixed quantum∕ semiclassical propagation method 
2006Insight into catalytically relevant correlated motions in human purine nucleoside phosphorylase 
2006Effect of enzyme dynamics on catalytic activity 
2006Computational and theoretical methods to explore the relation between enzyme dynamics and catalysis 
2004Transition path sampling study of classical rate-promoting vibrations 
2004Promoting vibrations in human purine nucleoside phosphorylase. A molecular dynamics and hybrid quantum mechanical/molecular mechanical study 
2003Langevin equation in momentum space 
2003Low-frequency collective motions in proteins 
2002Barrier passage and protein dynamics in enzymatically catalyzed reactions 
2002Proton transfer in condensed phases: beyond the quantum Kramers paradigm 
2001Internal enzyme motions as a source of catalytic activity: rate-promoting vibrations and hydrogen tunneling 
2001Nonequilibrium solvation and the quantum Kramers problem: proton transfer in aqueous glycine 
2001Harmonic collective modes in atomic liquids 
1999A molecular dynamics quantum Kramers study of proton transfer in solution 
1999Quantum proton transfer with spatially dependent friction: Phenol-amine in methyl chloride 
1998Activated chemistry in the presence of a strongly symmetrically coupled vibration 
1998Proton transfer in benzoic acid crystals: Another look using quantum operator theory 
1998Temperature dependent spectral densities and quantum activated rate theory 
1997Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations 
1996Large-U cluster-Hamiltonian expansion of the Hubbard model 
1996Nonadiabatic effects in a method that combines classical and quantum mechanics 
1995Vibrational energy transfer in linear hydrocarbon chains: new quantum results 
1992Magnetoplasmons and cyclotron resonance in disordered two-dimensional electronic systems 
1991Nuclear-spin relaxation and spin-wave collective modes in a disordered two-dimensional electron gas 
1990Collective oscillations in a disordered two-dimensional electron gas at strong magnetic fields