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Journal of Chemical Information and Modeling
|
June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design
Jie Li, Oufan Zhang, Kunyang Sun, et al.
Digital Discovery
|
June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Mojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data
|
May 17, 2022
A benchmark dataset for Hydrogen Combustion
Xingyi Guan, Akshaya Das, Christopher J Stein, et al.
Molecular Physics
|
July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains
Jagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of Chemical Theory and Computation
|
May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields
Itai Leven, Hongxia Hao, Songchen Tan, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 15) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 15 results.
Journal of Chemical Information and Modeling
|
June 6, 2024
Mining for Potent Inhibitors through Artificial Intelligence and Physics: A Unified Methodology for Ligand Based and Structure Based Drug Design
Jie Li, Oufan Zhang, Kunyang Sun, et al.
Digital Discovery
|
June 30, 2022
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces
Mojtaba Haghighatlari, Jie Li, Xingyi Guan, et al.
Scientific Data
|
May 17, 2022
A benchmark dataset for Hydrogen Combustion
Xingyi Guan, Akshaya Das, Christopher J Stein, et al.
Molecular Physics
|
July 20, 2023
M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains
Jagna Witek, Joseph P Heindel, Xingyi Guan, et al.
Journal of Chemical Theory and Computation
|
May 10, 2021
Recent Advances for Improving the Accuracy, Transferability, and Efficiency of Reactive Force Fields
Itai Leven, Hongxia Hao, Songchen Tan, et al.
Page
of 2