Lista de obras - David Leitner - Dominio Público Uruguay

An extended dynamical hydration shell around proteins

artículo científico publicado en 2007

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

artículo científico publicado en 2000

Asymmetric energy flow in liquid alkylbenzenes: A computational study

scientific article published on 01 October 2015

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

artículo científico publicado en 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

artículo científico publicado en 2020

Energy Transport across Interfaces in Biomolecular Systems

artículo científico publicado en 2019

Energy flow in proteins

artículo científico publicado en 2008

Frequency-resolved communication maps for proteins and other nanoscale materials

artículo científico publicado en 2009

Heat flow in proteins: computation of thermal transport coefficients

artículo científico publicado en 2005

Hydrophobic Collapse of Ubiquitin Generates Rapid Protein-Water Motions

artículo científico publicado en 2018

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

artículo científico publicado en 2017

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

artículo científico publicado en 2005

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

artículo científico publicado en 2000

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

artículo científico publicado en 2008

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

artículo científico publicado el 31 de diciembre de 2012

Mass fractal dimension and the compactness of proteins

artículo científico publicado en 2005

Molecules and the Eigenstate Thermalization Hypothesis

artículo científico publicado en 2018

Quantum ergodicity and energy flow in molecules

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

artículo científico publicado en 2009

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

artículo científico publicado en 2000

Scaling Rules for Vibrational Energy Transport in Globular Proteins

artículo científico publicado en 2015

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

article

Size-Dependent Accuracy of Nanoscale Thermometers

artículo científico publicado en 2014

Small Saccharides as a Blanket around Proteins: A Computational Study

artículo científico publicado en 2018

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

artículo científico publicado en 2006

Solvation dynamics of biomolecules: modeling and terahertz experiments

artículo científico publicado en 2008

The role of sulfates on antifreeze protein activity

artículo científico publicado en 2014

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

artículo científico publicado el 26 de mayo de 1998

Thermal Boundary Conductance and Thermal Rectification in Molecules ⬇️

artículo científico publicado el 23 de mayo de 2013

Thermalization and Thermal Transport in Molecules

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2015

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

artículo científico publicado en 2014

Water-mediated biomolecular dynamics and allostery

artículo científico publicado en 2020

Lista de obras de David Leitner

An extended dynamical hydration shell around proteins

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

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

Asymmetric energy flow in liquid alkylbenzenes: A computational study

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

Communication maps of vibrational energy transport through Photoactive Yellow Protein

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

Energy Transport across Interfaces in Biomolecular Systems

Energy flow in proteins

Frequency-resolved communication maps for proteins and other nanoscale materials

Heat flow in proteins: computation of thermal transport coefficients

Hydrophobic Collapse of Ubiquitin Generates Rapid Protein-Water Motions

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

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

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

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

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

Mass fractal dimension and the compactness of proteins

Molecules and the Eigenstate Thermalization Hypothesis

Quantum ergodicity and energy flow in molecules

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

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

Scaling Rules for Vibrational Energy Transport in Globular Proteins

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

Size-Dependent Accuracy of Nanoscale Thermometers

Small Saccharides as a Blanket around Proteins: A Computational Study

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

Solvation dynamics of biomolecules: modeling and terahertz experiments

The role of sulfates on antifreeze protein activity

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

Thermal Boundary Conductance and Thermal Rectification in Molecules ⬇️

Thermalization and Thermal Transport in Molecules

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

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

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

Vibrational States and Nitrile Lifetimes of Cyanophenylalanine Isotopomers in Solution

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

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

Water-mediated biomolecular dynamics and allostery