Leili Zhang

12 papers Journal 11Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Integrating Physics-Based Simulations with Data-Driven Deep Learning Represents a Robust Strategy for Developing Inhibitors Targeting the Main Protease.
J. Chem. Inf. Model.
Yanqing Yang, Yangwei Jiang, Dong Zhang, Leili Zhang, Ruhong Zhou
2024 J jnl
Learning coarse-grained force fields for fibrogenesis modeling.
Comput. Phys. Commun.
Ziji Zhang, Georgios Kementzidis, Peng Zhang, Leili Zhang, James R. Kozloski, Adam Hansen, Miriam Rafailovich, Marcia Simon, Yuefan Deng
2024 J jnl
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity.
Briefings Bioinform.
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
2023 J jnl
AI-aided multiscale modeling of physiologically-significant blood clots.
Comput. Phys. Commun.
Yicong Zhu, Changnian Han, Peng Zhang, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng
2022 J jnl
AI-aided multiscale modeling of physiologically-significant blood clots.
CoRR
Yicong Zhu, Changnian Han, Peng Zhang, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng
2022 J jnl
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation.
CoRR
Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell
2022 J jnl
Research on Uncertainty of Landslide Susceptibility Prediction - Bibliometrics and Knowledge Graph Analysis.
Remote. Sens.
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
2022 J jnl
Scalable multiscale modeling of platelets with 100 million particles.
J. Supercomput.
Changnian Han, Peng Zhang, Yicong Zhu, Guojing Cong, James R. Kozloski, Chih-Chieh Yang, Leili Zhang, Yuefan Deng
2022 J jnl
Simplified, interpretable graph convolutional neural networks for small molecule activity prediction.
J. Comput. Aided Mol. Des.
Jeffrey K. Weber, Joseph A. Morrone, Sugato Bagchi, Jan D. Estrada Pabon, Seung-gu Kang, Leili Zhang, Wendy D. Cornell
2021 J jnl
CASTELO: clustered atom subtypes aided lead optimization - a combined machine learning and molecular modeling method.
BMC Bioinform.
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
2020 J jnl
CASTELO: Clustered Atom Subtypes aidEd Lead Optimization - a combined machine learning and molecular modeling method.
CoRR
Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
2020 — conf
Design of AI-Enhanced Drug Lead Optimization Workflow for HPC and Cloud.
IEEE BigData
Chih-Chieh Yang, Giacomo Domeniconi, Leili Zhang, Guojing Cong