Leili Zhang

According to our database, Leili Zhang authored at least 10 papers between 2020 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Integrating Physics-Based Simulations with Data-Driven Deep Learning Represents a Robust Strategy for Developing Inhibitors Targeting the Main Protease.

Yanqing Yang, Yangwei Jiang, Dong Zhang, Leili Zhang, Ruhong Zhou

J. Chem. Inf. Model., 2025

2024

Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity.

Jeffrey K. Weber, Joseph A. Morrone, Seung-gu Kang, Leili Zhang, Lijun Lang, Diego Chowell, Chirag Krishna, Tien Huynh, Prerana Parthasarathy, Binquan Luan, Tyler J. Alban, Wendy D. Cornell, Timothy A Chan

Briefings Bioinform., January, 2024

Learning coarse-grained force fields for fibrogenesis modeling.

Ziji Zhang, Georgios Kementzidis, Peng Zhang, Leili Zhang, James R. Kozloski, Adam Hansen, Miriam Rafailovich, Marcia Simon, Yuefan Deng

Comput. Phys. Commun., 2024

2023

AI-aided multiscale modeling of physiologically-significant blood clots.

Yicong Zhu, Changnian Han, Peng Zhang, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng

Comput. Phys. Commun., June, 2023

2022

Scalable multiscale modeling of platelets with 100 million particles.

Changnian Han, Peng Zhang, Yicong Zhu, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng

J. Supercomput., 2022

Research on Uncertainty of Landslide Susceptibility Prediction - Bibliometrics and Knowledge Graph Analysis.

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

Remote. Sens., 2022

Simplified, interpretable graph convolutional neural networks for small molecule activity prediction.

Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell

J. Comput. Aided Mol. Des., 2022

In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation.

Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell

CoRR, 2022

2021

CASTELO: clustered atom subtypes aided lead optimization - a combined machine learning and molecular modeling method.

Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong

BMC Bioinform., 2021

2020

Design of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud.

Chih-Chieh Yang, Giacomo Domeniconi, Leili Zhang, Guojing Cong

Proceedings of the 2020 IEEE International Conference on Big Data (IEEE BigData 2020), 2020