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Journal of Chemical Theory and Computation
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December 29, 2023
MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition
Dilipkumar N Asthagiri, Thomas L Beck
The Journal of Chemical Physics
|
May 5, 2026
Rotational memory function of SPC/E water
Dilipkumar N Asthagiri, Dmitry V Matyushov
Journal of Chemical Theory and Computation
|
February 21, 2024
All-Atom Biomolecular Simulation in the Exascale Era
Thomas L Beck, Paolo Carloni, Dilipkumar N Asthagiri
The Journal of Physical Chemistry. B
|
July 27, 2021
Thermodynamics of Hydration from the Perspective of the Molecular Quasichemical Theory of Solutions
Dilipkumar N Asthagiri, Michael E Paulaitis, Lawrence R Pratt
Chemical Science
|
March 31, 2025
Consequences of the failure of equipartition for the <i>p</i>-<i>V</i> behavior of liquid water and the hydration free energy components of a small protein
Dilipkumar N Asthagiri, Arjun Valiya Parambathu, Thomas L Beck
The Journal of Physical Chemistry. B
|
January 5, 2026
Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water
Dilipkumar N Asthagiri, Thiago Pinheiro Dos Santos, Thomas L Beck
ACS Macro Letters
|
January 25, 2023
Influence of Charge Block Length on Conformation and Solution Behavior of Polyampholytes
Winnie H Shi, Rohan S Adhikari, Dilipkumar N Asthagiri, et al.
The Journal of Physical Chemistry Letters
|
July 31, 2023
Polarizability Plays a Decisive Role in Modulating Association between Molecular Cations and Anions
Chase E Herman, Arjun Valiya Parambathu, Dilipkumar N Asthagiri, et al.
The Journal of Physical Chemistry Letters
|
November 10, 2020
Hydrophilic Interactions Dominate the Inverse Temperature Dependence of Polypeptide Hydration Free Energies Attributed to Hydrophobicity
Dheeraj S Tomar, Michael E Paulaitis, Lawrence R Pratt, et al.
Accounts of Chemical Research
|
July 13, 2022
Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory
Diego T Gomez, Lawrence R Pratt, Dilipkumar N Asthagiri, et al.
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Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 29, 2023
MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition
Dilipkumar N Asthagiri, Thomas L Beck
The Journal of Chemical Physics
|
May 5, 2026
Rotational memory function of SPC/E water
Dilipkumar N Asthagiri, Dmitry V Matyushov
Journal of Chemical Theory and Computation
|
February 21, 2024
All-Atom Biomolecular Simulation in the Exascale Era
Thomas L Beck, Paolo Carloni, Dilipkumar N Asthagiri
The Journal of Physical Chemistry. B
|
July 27, 2021
Thermodynamics of Hydration from the Perspective of the Molecular Quasichemical Theory of Solutions
Dilipkumar N Asthagiri, Michael E Paulaitis, Lawrence R Pratt
Chemical Science
|
March 31, 2025
Consequences of the failure of equipartition for the <i>p</i>-<i>V</i> behavior of liquid water and the hydration free energy components of a small protein
Dilipkumar N Asthagiri, Arjun Valiya Parambathu, Thomas L Beck
The Journal of Physical Chemistry. B
|
January 5, 2026
Equipartition and the Temperature of Maximum Density of TIP4P/2005 Water
Dilipkumar N Asthagiri, Thiago Pinheiro Dos Santos, Thomas L Beck
ACS Macro Letters
|
January 25, 2023
Influence of Charge Block Length on Conformation and Solution Behavior of Polyampholytes
Winnie H Shi, Rohan S Adhikari, Dilipkumar N Asthagiri, et al.
The Journal of Physical Chemistry Letters
|
July 31, 2023
Polarizability Plays a Decisive Role in Modulating Association between Molecular Cations and Anions
Chase E Herman, Arjun Valiya Parambathu, Dilipkumar N Asthagiri, et al.
The Journal of Physical Chemistry Letters
|
November 10, 2020
Hydrophilic Interactions Dominate the Inverse Temperature Dependence of Polypeptide Hydration Free Energies Attributed to Hydrophobicity
Dheeraj S Tomar, Michael E Paulaitis, Lawrence R Pratt, et al.
Accounts of Chemical Research
|
July 13, 2022
Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory
Diego T Gomez, Lawrence R Pratt, Dilipkumar N Asthagiri, et al.
Page
of 2