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The Journal of Chemical Physics
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January 27, 2025
Rationalizing protein-ligand interactions via the effective fragment potential method and structural data from classical molecular dynamics
Andres S Urbina, Lyudmila V Slipchenko
The Journal of Chemical Physics
|
March 9, 2026
Beyond the cutoff: Hybrid ML/MM electrostatics for neural network potentials
Shahed Haghiri, Andres S Urbina, Lyudmila V Slipchenko
The Journal of Chemical Physics
|
July 3, 2016
The electron localization as the information content of the conditional pair density
Andres S Urbina, F Javier Torres, Luis Rincon
The Journal of Physical Chemistry Letters
|
December 11, 2023
Quantifying the Nearly Random Microheterogeneity of Aqueous <i>tert</i>-Butyl Alcohol Solutions Using Vibrational Spectroscopy
Andres S Urbina, Lyudmila V Slipchenko, Dor Ben-Amotz
The Journal of Chemical Physics
|
September 22, 2025
In search of mechanism of aggregation-induced emission in carbazole and triphenylamine substituted ethenes: An approach based on spin-flip time dependent density functional theory and optimally tuned range-separated hybrid functional
Aarzoo, Andres S Urbina, Lyudmila V Slipchenko, et al.
Chemical Science
|
May 3, 2024
Influence of H<sup>+</sup>, OH<sup>-</sup> and salts on hydrophobic self-assembly
Kenneth D Judd, Denilson Mendes de Oliveira, Andres S Urbina, et al.
The Journal of Physical Chemistry. B
|
November 18, 2020
Binding-Induced Unfolding of 1-Bromopropane in α-Cyclodextrin
Andres S Urbina, Victoria M Boulos, Matthias Zeller, et al.
The Journal of Physical Chemistry. B
|
June 16, 2021
Hydration and Seamless Integration of Hydrogen Peroxide in Water
Aria J Bredt, Denilson Mendes de Oliveira, Andres S Urbina, et al.
The Journal of Physical Chemistry. B
|
January 25, 2022
Expulsion of Hydroxide Ions from Methyl Hydration Shells
Aria J Bredt, Yongbin Kim, Denilson Mendes de Oliveira, et al.
The Journal of Physical Chemistry. A
|
February 2, 2024
Capturing CO<sub>2</sub> in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO<sub>2</sub>)<i></i>, <i>n</i> = 1,2
Blair A Welsh, Andres S Urbina, Tuan A Ho, et al.
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Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 27, 2025
Rationalizing protein-ligand interactions via the effective fragment potential method and structural data from classical molecular dynamics
Andres S Urbina, Lyudmila V Slipchenko
The Journal of Chemical Physics
|
March 9, 2026
Beyond the cutoff: Hybrid ML/MM electrostatics for neural network potentials
Shahed Haghiri, Andres S Urbina, Lyudmila V Slipchenko
The Journal of Chemical Physics
|
July 3, 2016
The electron localization as the information content of the conditional pair density
Andres S Urbina, F Javier Torres, Luis Rincon
The Journal of Physical Chemistry Letters
|
December 11, 2023
Quantifying the Nearly Random Microheterogeneity of Aqueous <i>tert</i>-Butyl Alcohol Solutions Using Vibrational Spectroscopy
Andres S Urbina, Lyudmila V Slipchenko, Dor Ben-Amotz
The Journal of Chemical Physics
|
September 22, 2025
In search of mechanism of aggregation-induced emission in carbazole and triphenylamine substituted ethenes: An approach based on spin-flip time dependent density functional theory and optimally tuned range-separated hybrid functional
Aarzoo, Andres S Urbina, Lyudmila V Slipchenko, et al.
Chemical Science
|
May 3, 2024
Influence of H<sup>+</sup>, OH<sup>-</sup> and salts on hydrophobic self-assembly
Kenneth D Judd, Denilson Mendes de Oliveira, Andres S Urbina, et al.
The Journal of Physical Chemistry. B
|
November 18, 2020
Binding-Induced Unfolding of 1-Bromopropane in α-Cyclodextrin
Andres S Urbina, Victoria M Boulos, Matthias Zeller, et al.
The Journal of Physical Chemistry. B
|
June 16, 2021
Hydration and Seamless Integration of Hydrogen Peroxide in Water
Aria J Bredt, Denilson Mendes de Oliveira, Andres S Urbina, et al.
The Journal of Physical Chemistry. B
|
January 25, 2022
Expulsion of Hydroxide Ions from Methyl Hydration Shells
Aria J Bredt, Yongbin Kim, Denilson Mendes de Oliveira, et al.
The Journal of Physical Chemistry. A
|
February 2, 2024
Capturing CO<sub>2</sub> in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO<sub>2</sub>)<i></i>, <i>n</i> = 1,2
Blair A Welsh, Andres S Urbina, Tuan A Ho, et al.
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of 2