Jie Li
14PUBLICATIONS
24CO-AUTHORS
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Publications (14)
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|Jan 05, 2026
Leak Proof PDBBind: A Reorganized Data Set of Protein-Ligand Complexes for More Generalizable Binding Affinity Prediction.Jie Li, Xingyi Guan, Oufan Zhang
|Apr 07, 2025
A workflow to create a high-quality protein-ligand binding dataset for training, validation, and prediction tasks.Yingze Wang, Kunyang Sun, Jie Li
|Nov 12, 2024
UCBShift 2.0: Bridging the Gap from Backbone to Side Chain Protein Chemical Shift Prediction for Protein Structures.Aleksandra L Ptaszek, Jie Li, Robert Konrat
|Jun 06, 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
|May 10, 2024
SPyCi-PDB: A modular command-line interface for back-calculating experimental datatypes of protein structures.Zi Hao Liu, Oufan Zhang, João M C Teixeira
|Feb 08, 2024
Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning.Jie Li, Jiashu Liang, Zhe Wang
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Frequent Collaborators
14 joint publications
Teresa Head-Gordon
5 joint publications
Julie D Forman-Kay
4 joint publications
Martin Head-Gordon
4 joint publications
Zi Hao Liu
3 joint publications
Jiashu Liang
3 joint publications
Zhe Wang
2 joint publications
João M C Teixeira
2 joint publications
Brad Ganoe
1 joint publications
Xingyi Guan
1 joint publications
Christopher J Stein
