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Journal of Chemical Theory and Computation
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December 26, 2023
Tuning Potential Functions to Host-Guest Binding Data
Jeffry Setiadi, Simon Boothroyd, David R Slochower, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Journal of Chemical Information and Modeling
|
November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale
Joshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model
Lily Wang, Irfan Alibay, Pavan Kumar Behara, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Journal of Chemical Theory and Computation
|
May 11, 2023
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
Simon Boothroyd, Pavan Kumar Behara, Owen C Madin, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 16) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 16 results.
Journal of Chemical Theory and Computation
|
December 26, 2023
Tuning Potential Functions to Host-Guest Binding Data
Jeffry Setiadi, Simon Boothroyd, David R Slochower, et al.
The Journal of Physical Chemistry. B
|
August 1, 2024
Benchmarking Quantum Mechanical Levels of Theory for Valence Parametrization in Force Fields
Pavan Kumar Behara, Hyesu Jang, Joshua T Horton, et al.
Journal of Chemical Information and Modeling
|
November 9, 2022
Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale
Joshua T Horton, Simon Boothroyd, Jeffrey Wagner, et al.
Journal of Chemical Theory and Computation
|
April 21, 2026
Developing and Benchmarking Sage 2.3.0 with the AshGC Neural Network Charge Model
Lily Wang, Irfan Alibay, Pavan Kumar Behara, et al.
Journal of Chemical Theory and Computation
|
September 22, 2021
Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field
Yudong Qiu, Daniel G A Smith, Simon Boothroyd, et al.
Journal of Chemical Theory and Computation
|
May 11, 2023
Development and Benchmarking of Open Force Field 2.0.0: The Sage Small Molecule Force Field
Simon Boothroyd, Pavan Kumar Behara, Owen C Madin, et al.
Page
of 2