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The Journal of Physical Chemistry. B|September 6, 2023
Dynamics of Hydrogen Bonds between Water and Intrinsically Disordered and Structured Regions of ProteinsKorey M Reid, Humanath Poudel, David M Leitner
The Journal of Chemical Physics|February 23, 2015
Vibrational energy flow in the villin headpiece subdomain: master equation simulationsDavid M Leitner, Sebastian Buchenberg, Paul Brettel, et al.
The Journal of Physical Chemistry. B|October 27, 2020
Energy Transfer across Nonpolar and Polar Contacts in Proteins: Role of Contact FluctuationsHumanath Poudel, Korey M Reid, Takahisa Yamato, et al.
The Journal of Physical Chemistry Letters|August 11, 2021
Electric Fields Influence Intramolecular Vibrational Energy Relaxation and Line WidthsAnwesha Maitra, Sohini Sarkar, David M Leitner, et al.
Physical Chemistry Chemical Physics : PCCP|October 15, 2025
Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained modelsHumanath Poudel, Pathick Halder Shaon, David J Wales, et al.
Entropy (Basel, Switzerland)|July 27, 2022
A Statistical Journey through the Topological Determinants of the β2 Adrenergic Receptor DynamicsLuisa Di Paola, Humanath Poudel, Mauro Parise, et al.
The Journal of Chemical Physics|August 21, 2007
Quantum energy flow and the kinetics of water shuttling between hydrogen bonding sites on trans-formanilideJohnson K Agbo, David M Leitner, Evgeniy M Myshakin, et al.
The Journal of Chemical Physics|January 6, 2006
Influence of vibrational energy flow on isomerization of flexible molecules: incorporating non-Rice-Ramsperger-Kassel-Marcus kinetics in the simulation of dipeptide isomerizationJohnson K Agbo, David M Leitner, David A Evans, et al.
The Journal of Physical Chemistry. A|March 3, 2006
CF3CH3 --> HF + CF2CH2: a non-RRKM reaction?John R Barker, Philip J Stimac, Keith D King, et al.
Journal of Chemical Theory and Computation|October 2, 2024
A Strategy for Modeling Nonstatistical Reactivity Effects: Combining Chemical Activation Estimates with a Vibrational Relaxation ModelTomislav Rožić, Matthew S Teynor, Nađa Došlić, et al.
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