David M Leitner

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 24

Top Topics

Molecular Dynamics

Protein Protein

Energy Transfer

Top Venues

The journal of physical chemistry. B

The journal of physical chemistry letters

The Journal of chemical physics

Entropy (Basel, Switzerland)

This page only lists publications with an associated author ORCID identifier.

Publications

Humanath Poudel, David J Wales, David M Leitner
Vibrational Energy Landscapes and Energy Flow in GPCRs. The journal of physical chemistry. B (2024)
Humanath Poudel, David J Wales, David M Leitner
Vibrational Energy Landscapes and Energy Flow in GPCRs. The journal of physical chemistry. B 128 (31) (2024)
Humanath Poudel, David J Wales, David M Leitner
Vibrational Energy Landscapes and Energy Flow in GPCRs. The journal of physical chemistry. B 128 (31) (2024)
Korey M Reid, Humanath Poudel, David M Leitner
Dynamics of Hydrogen Bonds between Water and Intrinsically Disordered and Structured Regions of Proteins. The journal of physical chemistry. B (2023)
Humanath Poudel, David M Leitner
Locating dynamic contributions to allostery via determining rates of vibrational energy transfer. The Journal of chemical physics 158 (1) (2023)
Humanath Poudel, David M Leitner
Energy Transport in Class B GPCRs: Role of Protein-Water Dynamics and Activation. The journal of physical chemistry. B 126 (42) (2022)
Korey M Reid, David M Leitner
Enhanced Mobility during Diels-Alder Reaction: Results of Molecular Simulations. The journal of physical chemistry letters 13 (16) (2022)
Luisa Di Paola, Humanath Poudel, Mauro Parise, Alessandro Giuliani, David M Leitner
A Statistical Journey through the Topological Determinants of the β2 Adrenergic Receptor Dynamics. Entropy (Basel, Switzerland) 24 (7) (2022)
Hamid Hadi-Alijanvand, Luisa Di Paola, Guang Hu, David M Leitner, Gennady M Verkhivker, Peixin Sun, Humanath Poudel, Alessandro Giuliani
Biophysical Insight into the SARS-CoV2 Spike-ACE2 Interaction and Its Modulation by Hepcidin through a Multifaceted Computational Approach. ACS omega 7 (20) (2022)
David M Leitner, Changbong Hyeon, Korey M Reid
Water-mediated biomolecular dynamics and allostery. The Journal of chemical physics 152 (24) (2021)
Humanath Poudel, David M Leitner
Activation-Induced Reorganization of Energy Transport Networks in the β2 Adrenergic Receptor. The journal of physical chemistry. B 125 (24) (2021)
Korey M Reid, Xin Yu, David M Leitner
Change in vibrational entropy with change in protein volume estimated with mode Grüneisen parameters. The Journal of chemical physics 154 (5) (2021)
Anwesha Maitra, Sohini Sarkar, David M Leitner, Jahan M Dawlaty
Electric Fields Influence Intramolecular Vibrational Energy Relaxation and Line Widths. The journal of physical chemistry letters 12 (32) (2021)
Humanath Poudel, Korey M Reid, Takahisa Yamato, David M Leitner
Energy Transfer across Nonpolar and Polar Contacts in Proteins: Role of Contact Fluctuations. The journal of physical chemistry. B 124 (44) (2020)
Korey M Reid, Takahisa Yamato, David M Leitner
Variation of Energy Transfer Rates across Protein-Water Contacts with Equilibrium Structural Fluctuations of a Homodimeric Hemoglobin. The journal of physical chemistry. B 124 (7) (2020)
David M Leitner, Hari Datt Pandey, Korey M Reid
Energy Transport across Interfaces in Biomolecular Systems. The journal of physical chemistry. B 123 (45) (2019)
Andrew J Schmitz, Hari Datt Pandey, Farzaneh Chalyavi, Tianjiao Shi, Edward E Fenlon, Scott H Brewer, David M Leitner, Matthew J Tucker
Tuning Molecular Vibrational Energy Flow within an Aromatic Scaffold via Anharmonic Coupling. The journal of physical chemistry. A 123 (49) (2019)
Hari Datt Pandey, David M Leitner
Vibrational States and Nitrile Lifetimes of Cyanophenylalanine Isotopomers in Solution. The journal of physical chemistry. A 122 (34) (2018)
David M Leitner
Molecules and the Eigenstate Thermalization Hypothesis. Entropy (Basel, Switzerland) 20 (9) (2018)
Korey M Reid, Takahisa Yamato, David M Leitner
Scaling of Rates of Vibrational Energy Transfer in Proteins with Equilibrium Dynamics and Entropy. The journal of physical chemistry. B 122 (40) (2018)
Hanna Wirtz, Sarah Schäfer, Claudius Hoberg, Korey M Reid, David M Leitner, Martina Havenith
Hydrophobic Collapse of Ubiquitin Generates Rapid Protein-Water Motions. Biochemistry 57 (26) (2018)
Hari Datt Pandey, David M Leitner
Small Saccharides as a Blanket around Proteins: A Computational Study. The journal of physical chemistry. B 122 (29) (2018)
Hari Datt Pandey, David M Leitner
Thermodynamics of Hydration Water around an Antifreeze Protein: A Molecular Simulation Study. The journal of physical chemistry. B 121 (41) (2017)
Hari Datt Pandey, David M Leitner
Thermalization and Thermal Transport in Molecules. The journal of physical chemistry letters 7 (24) (2016)