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Computational Biology and Chemistry
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February 9, 2024
Pre-training molecular representation model with spatial geometry for property prediction
Yishui Li, Wei Wang, Jie Liu, et al.
Journal of Chemical Information and Modeling
|
December 30, 2022
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations
Yishui Li, Runduo Liu, Jie Liu, et al.
Journal of Chemical Information and Modeling
|
September 2, 2022
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay
Liping Zhou, Tingting Liu, Mengxia Mo, et al.
The International Journal of High Performance Computing Applications
|
April 11, 2024
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19
Zhe Li, Chengkun Wu, Yishui Li, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Computational Biology and Chemistry
|
February 9, 2024
Pre-training molecular representation model with spatial geometry for property prediction
Yishui Li, Wei Wang, Jie Liu, et al.
Journal of Chemical Information and Modeling
|
December 30, 2022
An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations
Yishui Li, Runduo Liu, Jie Liu, et al.
Journal of Chemical Information and Modeling
|
September 2, 2022
Exploring the Binding Affinity and Mechanism between ACE2 and the Trimers of Delta and Omicron Spike Proteins by Molecular Dynamics Simulation and Bioassay
Liping Zhou, Tingting Liu, Mengxia Mo, et al.
The International Journal of High Performance Computing Applications
|
April 11, 2024
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19
Zhe Li, Chengkun Wu, Yishui Li, et al.
Page
of 1