Yaqi Li

5PUBLICATIONS
21CO-AUTHORS
Mining engineeringTheoretical quantum chemistryBiomolecular modelling and designMolecular targets
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Publications (5)

|Jul 23, 2026
Metal-dependent regulated cell death: Molecular architecture and translational frontiers.

|Jun 08, 2026
PpF: a density functional fine-tuned for noncovalent interactions of protein and peptide residues.

|Feb 28, 2026
LigandExplorer: An Automated Tool for Ligand Extraction from PDB Structures.

Yaqi Li, Rongfeng Zou, Maohua Yang

|Aug 10, 2024
Discovery of the Inhibitor Targeting the SLC7A11/xCT Axis through In Silico and In Vitro Experiments.

Jianda Yue, Yekui Yin, Xujun Feng

|Jan 19, 2020
M06-SX screened-exchange density functional for chemistry and solid-state physics.

Ying Wang, Pragya Verma, Lujia Zhang

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Frequent Collaborators

4 joint publications

Ying Wang

3 joint publications

Zhonghua Liu

2 joint publications

Donald G Truhlar

2 joint publications

Xiao He