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Journal of Chemical Theory and Computation
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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
|
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.
Faraday Discussions
|
November 23, 2020
Challenges for large scale simulation: general discussion
Jan Gerit Brandenburg, Kieron Burke, Bartolomeo Civalleri, et al.
The Journal of Chemical Physics
|
May 10, 2020
The ONETEP linear-scaling density functional theory program
Joseph C A Prentice, Jolyon Aarons, James C Womack, et al.
Journal of Chemical Information and Modeling
|
June 20, 2025
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
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Search research articles
Search
Showing results (91-100 of 96) with videos related to
Sort By:
Page
of 10
You have reached the last page of results.
This site can display upto 96 results.
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
|
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.
Faraday Discussions
|
November 23, 2020
Challenges for large scale simulation: general discussion
Jan Gerit Brandenburg, Kieron Burke, Bartolomeo Civalleri, et al.
The Journal of Chemical Physics
|
May 10, 2020
The ONETEP linear-scaling density functional theory program
Joseph C A Prentice, Jolyon Aarons, James C Womack, et al.
Journal of Chemical Information and Modeling
|
June 20, 2025
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13
Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh, et al.
Journal of Chemical Information and Modeling
|
February 26, 2026
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
Hugo MacDermott-Opeskin, Jenke Scheen, Cas Wognum, et al.
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of 10