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2020 – today
- 2024
[j6]Ziji Zhang, Georgios Kementzidis, Peng Zhang, Leili Zhang, James R. Kozloski, Adam Hansen, Miriam Rafailovich, Marcia Simon, Yuefan Deng:
Learning coarse-grained force fields for fibrogenesis modeling. Comput. Phys. Commun. 295: 108964 (2024)- 2023
- [j5]Yicong Zhu, Changnian Han, Peng Zhang, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng
:
AI-aided multiscale modeling of physiologically-significant blood clots. Comput. Phys. Commun. 287: 108718 (2023) - 2022
- [j4]Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell:
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction. J. Comput. Aided Mol. Des. 36(5): 391-404 (2022) - [j3]Zhengli Yang, Chao Liu, Ruihua Nie, Wanchang Zhang, Leili Zhang, Zhijie Zhang, Weile Li, Gang Liu, Xiaoai Dai, Donghui Zhang, Min Zhang, Shuangxi Miao, Xiao Fu, Zhiming Ren, Heng Lu:
Research on Uncertainty of Landslide Susceptibility Prediction - Bibliometrics and Knowledge Graph Analysis. Remote. Sens. 14(16): 3879 (2022) - [j2]Changnian Han, Peng Zhang, Yicong Zhu, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng:
Scalable multiscale modeling of platelets with 100 million particles. J. Supercomput. 78(18): 19707-19724 (2022) - [i3]Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell:
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation. CoRR abs/2204.02513 (2022) - [i2]Yicong Zhu, Changnian Han, Peng Zhang, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng:
AI-aided multiscale modeling of physiologically-significant blood clots. CoRR abs/2205.14121 (2022) - 2021
- [j1]Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong:
CASTELO: clustered atom subtypes aided lead optimization - a combined machine learning and molecular modeling method. BMC Bioinform. 22(1): 338 (2021) - 2020
- [c1]Chih-Chieh Yang, Giacomo Domeniconi, Leili Zhang, Guojing Cong:
Design of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud. IEEE BigData 2020: 5861-5863 - [i1]Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong:
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined machine learning and molecular modeling method. CoRR abs/2011.13788 (2020)
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