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Dimitris Antoniou
Associate Research Professor
,
Member of the Graduate Faculty
,
Chemistry & Biochemistry - Sci
antoniou@arizona.edu
520/621-0876
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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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