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D. Leitner · SciRah

Researcher profile · Semantic Scholar

D. Leitner

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D. Leitner — researcher profile on SciRah

h-index: 41
Works: 171
Citations: 5,954

Most-cited papers

An extended dynamical hydration shell around proteins
S. Ebbinghaus, Seung Joong Kim, M. Heyden, Xin-Peng Yu +4 more
2007Proceedings of the National Academy of Sciences of the United States of America655 citations Open access
Semantic Scholar
Energy flow in proteins.
D. Leitner
2008Annual review of physical chemistry (Print)271 citations
Semantic Scholar
Long-range protein–water dynamics in hyperactive insect antifreeze proteins
K. Meister, S. Ebbinghaus, Yao Xu, J. Duman +4 more
2012Proceedings of the National Academy of Sciences of the United States of America253 citations Open access
Semantic Scholar
Rattling in the cage: ions as probes of sub-picosecond water network dynamics.
Diedrich A. Schmidt, O. Birer, S. Funkner, B. Born +4 more
2009Journal of the American Chemical Society160 citations
Semantic Scholar
Protein sequence- and pH-dependent hydration probed by terahertz spectroscopy.
S. Ebbinghaus, Seung Joong Kim, M. Heyden, Xin-Peng Yu +3 more
2008Journal of the American Chemical Society142 citations
Semantic Scholar
Solvation dynamics of biomolecules: Modeling and terahertz experiments
D. Leitner, M. Gruebele, M. Havenith
2008HFSP Journal125 citations Open access
Semantic Scholar
Quantum ergodicity and energy flow in molecules
D. Leitner
2015116 citations
Semantic Scholar
Thermal boundary conductance and thermal rectification in molecules.
D. Leitner
2013Journal of Physical Chemistry B78 citations
Semantic Scholar
Proteins : energy, heat and signal flow
D. Leitner, J. Straub
200970 citations
Semantic Scholar
Frequency-resolved communication maps for proteins and other nanoscale materials.
D. Leitner
2009Journal of Chemical Physics68 citations
Semantic Scholar
Dynamics of water clusters confined in proteins: a molecular dynamics simulation study of interfacial waters in a dimeric hemoglobin.
Ramachandran Gnanasekaran, Yao Xu, D. Leitner
2010Journal of Physical Chemistry B61 citations
Semantic Scholar
Communication maps computed for homodimeric hemoglobin: computational study of water-mediated energy transport in proteins.
Ramachandran Gnanasekaran, Johnson K. Agbo, D. Leitner
2011Journal of Chemical Physics51 citations
Semantic Scholar
A quantum model of restricted vibrational energy flow on the way to the transition state in unimolecular reactions
D. Leitner, M. Gruebele
200850 citations
Semantic Scholar
Energy Transport across Interfaces in Biomolecular Systems.
D. Leitner, H. D. Pandey, Korey M Reid
2019Journal of Physical Chemistry B46 citations Open access
Semantic Scholar
Scaling Rules for Vibrational Energy Transport in Globular Proteins.
Sebastian Buchenberg, D. Leitner, G. Stock
2016Journal of Physical Chemistry Letters46 citations
Semantic Scholar
Vibrational energy flow in the villin headpiece subdomain: master equation simulations.
D. Leitner, Sebastian Buchenberg, Paul Brettel, G. Stock
2015Journal of Chemical Physics46 citations
Semantic Scholar
Vibrational energy flow through the green fluorescent protein-water interface: communication maps and thermal boundary conductance.
Yao Xu, D. Leitner
2014Journal of Physical Chemistry B46 citations
Semantic Scholar
Thermalization and Thermal Transport in Molecules.
H. D. Pandey, D. Leitner
2016Journal of Physical Chemistry Letters41 citations
Semantic Scholar
Influence of thermalization on thermal conduction through molecular junctions: Computational study of PEG oligomers.
H. D. Pandey, D. Leitner
2017Journal of Chemical Physics34 citations
Semantic Scholar
Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein
Yao Xu, Ramachandran Gnanasekaran, D. Leitner
201234 citations Open access
Semantic Scholar
Vibrational energy flow across heme–cytochrome c and cytochrome c–water interfaces
Johnson K. Agbo, Yao Xu, Ping Zhang, J. Straub +1 more
2014Theoretical Chemistry accounts29 citations
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The origin and impact of bound water around intrinsically disordered proteins.
Korey M Reid, Ashutosh Kumar Singh, C. Bikash, Jessica Wei +3 more
2022Biophysical Journal28 citations Open access
Semantic Scholar
Water-mediated biomolecular dynamics and allostery.
D. Leitner, Changbong Hyeon, Korey M Reid
2020Journal of Chemical Physics28 citations Open access
Semantic Scholar
Scaling of Rates of Vibrational Energy Transfer in Proteins with Equilibrium Dynamics and Entropy.
Korey M Reid, T. Yamato, D. Leitner
2018Journal of Physical Chemistry B27 citations
Semantic Scholar
Protein-water dynamics in antifreeze protein III activity
Yao Xu, Alexa Baumer, K. Meister, Connor G. Bischak +3 more
201627 citations Open access
Semantic Scholar
Tuning Molecular Vibrational Energy Flow within an Aromatic Scaffold via Anharmonic Coupling
Andrew J. Schmitz, H. D. Pandey, Farzaneh Chalyavi, T. Shi +4 more
2019Journal of Physical Chemistry A26 citations Open access
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The role of sulfates on antifreeze protein activity.
K. Meister, J. Duman, Yao Xu, A. Devries +2 more
2014Journal of Physical Chemistry B25 citations
Semantic Scholar
Quantum localization and protein-assisted vibrational energy flow in cofactors
D. Leitner
201024 citations Open access
Semantic Scholar
Asymmetric energy flow in liquid alkylbenzenes: A computational study.
D. Leitner, H. D. Pandey
2015Journal of Chemical Physics23 citations
Semantic Scholar
Variation of Energy Transfer Rates across Protein-Water Contacts with Equilibrium Structural Fluctuations of a Homodimeric Hemoglobin.
Korey M Reid, T. Yamato, D. Leitner
2020Journal of Physical Chemistry B20 citations Open access
Semantic Scholar
Vibrational energy transport in molecules and the statistical properties of vibrational modes
H. D. Pandey, D. Leitner
201720 citations Open access
Semantic Scholar
Advancing Theory for Kinetics and Dynamics of Complex, Many-Dimensional Systems: Clusters and Proteins: Advances in Chemical Physics
T. Komatsuzaki, R. Berry, D. Leitner
201120 citations Open access
Semantic Scholar
Hydrophobic collapse induces changes in the collective protein and hydration low frequency modes
Trung Quan Luong, Yao Xu, E. Bründermann, D. Leitner +1 more
201618 citations
Semantic Scholar
Quantum bottlenecks and unidirectional energy flow in molecules
D. Leitner, H. D. Pandey
201518 citations
Semantic Scholar
Mode damping rates in a protein chromophore
D. Leitner
201218 citations
Semantic Scholar
Energy Transfer across Nonpolar and Polar Contacts in Proteins: Role of Contact Fluctuations.
Humanath Poudel, Korey M Reid, T. Yamato, D. Leitner
2020Journal of Physical Chemistry B17 citations
Semantic Scholar
Molecules and the Eigenstate Thermalization Hypothesis
D. Leitner
2018Entropy17 citations Open access
Semantic Scholar
Thermodynamics of Hydration Water around an Antifreeze Protein: A Molecular Simulation Study.
H. D. Pandey, D. Leitner
2017Journal of Physical Chemistry B17 citations
Semantic Scholar
Water-Mediated Energy Dynamics in a Homodimeric Hemoglobin.
D. Leitner
2016Journal of Physical Chemistry B17 citations Open access
Semantic Scholar
Communication maps of vibrational energy transport through Photoactive Yellow Protein.
Yao Xu, D. Leitner
2014Journal of Physical Chemistry A17 citations
Semantic Scholar
Electric Fields Influence Intramolecular Vibrational Energy Relaxation and Line Widths.
Anwesha Maitra, Sohini Sarkar, D. Leitner, Jahan M. Dawlaty
2021Journal of Physical Chemistry Letters16 citations
Semantic Scholar
Recent developments in the computational study of protein structural and vibrational energy dynamics
D. Leitner, T. Yamato
2020Biophysical Reviews16 citations Open access
Semantic Scholar
Elastic and Inelastic Contributions to Thermal Transport between Chemical Groups and Thermal Rectification in Molecules
Korey M Reid, H. D. Pandey, D. Leitner
2019Journal of Physical Chemistry C16 citations
Semantic Scholar
Vibrational States and Nitrile Lifetimes of Cyanophenylalanine Isotopomers in Solution.
H. D. Pandey, D. Leitner
2018Journal of Physical Chemistry A15 citations
Semantic Scholar
Hydrophobic Collapse of Ubiquitin Generates Rapid Protein-Water Motions.
Hanna Wirtz, Sarah Schäfer, C. Hoberg, Korey M Reid +2 more
2018Biochemistry15 citations
Semantic Scholar
MAPPING ENERGY TRANSPORT NETWORKS IN PROTEINS
D. Leitner, T. Yamato
2018Reviews in computational chemistry15 citations Open access
Semantic Scholar
Size-Dependent Accuracy of Nanoscale Thermometers.
R. Alicki, D. Leitner
2015Journal of Physical Chemistry B15 citations
Semantic Scholar
The dielectric response to photoexcitation of GFP: A molecular dynamics study
Yao Xu, Ramachandran Gnanasekaran, D. Leitner
201315 citations
Semantic Scholar
Communication Maps: Exploring Energy Transport through Proteins and Water
Johnson K. Agbo, Ramachandran Gnanasekaran, D. Leitner
201413 citations
Semantic Scholar
Dynamics of Hydrogen Bonds between Water and Intrinsically Disordered and Structured Regions of Proteins.
Korey M Reid, Humanath Poudel, D. Leitner
2023Journal of Physical Chemistry B12 citations
Semantic Scholar

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