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Journal of Chemical Theory and Computation
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April 9, 2016
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
Daniel J Cole, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Anesthesiology
|
February 11, 2025
Anesthesia Workforce Supply and Demand Imbalance: Reply
Amr Abouleish, Mary Dale Peterson, Maxime Cannesson, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 9, 2013
Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
Greg Lever, Daniel J Cole, Nicholas D M Hine, et al.
Communications Chemistry
|
November 2, 2022
An open-source molecular builder and free energy preparation workflow
Mateusz K Bieniek, Ben Cree, Rachael Pirie, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2015
Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex
Daniel J Cole, Alex W Chin, Nicholas D M Hine, et al.
Anesthesia and Analgesia
|
February 26, 2004
Effect of isoflurane on neuronal apoptosis in rats subjected to focal cerebral ischemia
Masahiko Kawaguchi, John C Drummond, Daniel J Cole, et al.
The Journal of Physical Chemistry. B
|
September 26, 2019
Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Yue Qian, Israel Cabeza de Vaca, Jonah Z Vilseck, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms
Louis P Lee, Nidia Gabaldon Limas, Daniel J Cole, et al.
Journal of Chemical Theory and Computation
|
November 26, 2025
A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules
Charlie Adams, Joshua T Horton, Lily Wang, et al.
The Journal of Physical Chemistry Letters
|
May 10, 2017
Evidence of Correlated Static Disorder in the Fenna-Matthews-Olson Complex
Alexander S Fokas, Daniel J Cole, Nicholas D M Hine, et al.
Page
of 10
Search research articles
Search
Showing results (61-70 of 96) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
April 9, 2016
Biomolecular Force Field Parameterization via Atoms-in-Molecule Electron Density Partitioning
Daniel J Cole, Jonah Z Vilseck, Julian Tirado-Rives, et al.
Anesthesiology
|
February 11, 2025
Anesthesia Workforce Supply and Demand Imbalance: Reply
Amr Abouleish, Mary Dale Peterson, Maxime Cannesson, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 9, 2013
Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules
Greg Lever, Daniel J Cole, Nicholas D M Hine, et al.
Communications Chemistry
|
November 2, 2022
An open-source molecular builder and free energy preparation workflow
Mateusz K Bieniek, Ben Cree, Rachael Pirie, et al.
The Journal of Physical Chemistry Letters
|
August 22, 2015
Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex
Daniel J Cole, Alex W Chin, Nicholas D M Hine, et al.
Anesthesia and Analgesia
|
February 26, 2004
Effect of isoflurane on neuronal apoptosis in rats subjected to focal cerebral ischemia
Masahiko Kawaguchi, John C Drummond, Daniel J Cole, et al.
The Journal of Physical Chemistry. B
|
September 26, 2019
Absolute Free Energy of Binding Calculations for Macrophage Migration Inhibitory Factor in Complex with a Druglike Inhibitor
Yue Qian, Israel Cabeza de Vaca, Jonah Z Vilseck, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Expanding the Scope of Density Derived Electrostatic and Chemical Charge Partitioning to Thousands of Atoms
Louis P Lee, Nidia Gabaldon Limas, Daniel J Cole, et al.
Journal of Chemical Theory and Computation
|
November 26, 2025
A Graph Neural Network Charge Model Targeting Accurate Electrostatic Properties of Organic Molecules
Charlie Adams, Joshua T Horton, Lily Wang, et al.
The Journal of Physical Chemistry Letters
|
May 10, 2017
Evidence of Correlated Static Disorder in the Fenna-Matthews-Olson Complex
Alexander S Fokas, Daniel J Cole, Nicholas D M Hine, et al.
Page
of 10