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List of works by David M. Leitner

An extended dynamical hydration shell around proteins

scholarly article

Analysis of Water and Hydrogen Bond Dynamics at the Surface of an Antifreeze Protein

article

Anharmonic Lattice Dynamics in Germanium Measured with Ultrafast X-Ray Diffraction

scientific article published in Physical Review Letters

Asymmetric energy flow in liquid alkylbenzenes: A computational study

scientific article published on 01 October 2015

CF3CH3 --> HF + CF2CH2: a non-RRKM reaction?

scientific article published in March 2006

Communication maps of vibrational energy transport through Photoactive Yellow Protein

article

Energy Transfer across Nonpolar and Polar Contacts in Proteins: Role of Contact Fluctuations

scientific article published on 27 October 2020

Energy Transport across Interfaces in Biomolecular Systems

scientific article published on 01 October 2019

Energy flow in proteins

scientific article published on January 2008

Frequency-resolved communication maps for proteins and other nanoscale materials

scientific article published in May 2009

Heat flow in proteins: computation of thermal transport coefficients

scientific article

Hydrophobic Collapse of Ubiquitin Generates Rapid Protein-Water Motions

scientific article published on 04 June 2018

Influence of thermalization on thermal conduction through molecular junctions: Computational study of PEG oligomers

scientific article published in August 2017

Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerization

scientific article published in September 2005

Lateral diffusion of membrane proteins in the presence of static and dynamic corrals: suggestions for appropriate observables

scientific article

Long-range influence of carbohydrates on the solvation dynamics of water--answers from terahertz absorption measurements and molecular modeling simulations

scientific article

Long-range protein–water dynamics in hyperactive insect antifreeze proteins ⬇️

scientific article published on December 31, 2012

Mass fractal dimension and the compactness of proteins

scientific article

Molecules and the Eigenstate Thermalization Hypothesis

scientific article published on 05 September 2018

Quantum ergodicity and energy flow in molecules

Rattling in the cage: ions as probes of sub-picosecond water network dynamics

scientific article

Regulation of protein mobility in cell membranes: a dynamic corral model

scientific article

Scaling Rules for Vibrational Energy Transport in Globular Proteins

scientific article published on 9 December 2015

Scaling of Rates of Vibrational Energy Transfer in Proteins with Equilibrium Dynamics and Entropy

article

Size-Dependent Accuracy of Nanoscale Thermometers

scientific article published on 8 October 2014

Small Saccharides as a Blanket around Proteins: A Computational Study

scientific article published on 12 July 2018

Solute-induced retardation of water dynamics probed directly by terahertz spectroscopy

scholarly article

Solvation dynamics of biomolecules: modeling and terahertz experiments

scientific article published on 15 September 2008

The role of sulfates on antifreeze protein activity

scientific article published on 27 May 2014

The vibrational energy flow transition in organic molecules: Theory meets experiment ⬇️

scientific article published on May 26, 1998

Thermal Boundary Conductance and Thermal Rectification in Molecules ⬇️

scientific article published on May 23, 2013

Thermalization and Thermal Transport in Molecules

scientific article

Thermodynamics of Hydration Water around an Antifreeze Protein: A Molecular Simulation Study

scientific article

Tuning Molecular Vibrational Energy Flow within an Aromatic Scaffold via Anharmonic Coupling

scientific article published on 03 December 2019

Variation of Energy Transfer Rates across Protein-Water Contacts with Equilibrium Structural Fluctuations of a Homodimeric Hemoglobin

scientific article published on 10 February 2020

Vibrational States and Nitrile Lifetimes of Cyanophenylalanine Isotopomers in Solution

scientific article published on 21 August 2018

Vibrational energy flow in the villin headpiece subdomain: master equation simulations

scientific article published in February 2015

Vibrational energy flow through the green fluorescent protein-water interface: communication maps and thermal boundary conductance

scientific article

Water-mediated biomolecular dynamics and allostery

scientific article published on 01 June 2020

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