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Dimitris Antoniou

Associate Research Professor,

Member of the Graduate Faculty,

Chemistry & Biochemistry - Sci
antoniou@arizona.edu

520/621-0876

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)

Recent

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

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