Lei Bao

6PUBLICATIONS
6CO-AUTHORS
Metal cluster chemistryStructure and dynamics of materialsMetal organic frameworksTheory and design of materialsDeep learning
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Publications (6)

|Sep 18, 2026
From Exposed to Encapsulated: Structural Evolution and Enhanced Stability of Sn-Doped Gold Clusters, SnAu n (n = 2-20), Revealed by DFT.

|Jul 09, 2026
Multi-Force-Field Molecular Dynamics Reveals How Cation Hydration Kinetics Dictate Polypeptide Assembly Pathways and Timescales.

|May 20, 2025
Structural Evolution and Chemical Bonding in Rare-Earth Encapsulated Magnesium Clusters: A CALYPSO-Guided DFT Study of La2Mgn and Lu2Mgn (N = 1-20).

Ben-Chao Zhu, Yan-Hua Liao, Chun-Jing Liu

|Jan 06, 2025
Charge Arrangement Determines the Sensitivity of Aggregation Patterns between Peptide-Chains to the Surrounding Ionic Environment.

Lei Bao, Wen-Bin Kang, Ben-Chao Zhu

|Jul 02, 2024
Accurate Prediction of Protein Structural Flexibility by Deep Learning Integrating Intricate Atomic Structures and Cryo-EM Density Information.

Xintao Song, Lei Bao, Chenjie Feng

|Oct 22, 2022
Potential effects of metal ion induced two-state allostery on the regulatory mechanism of add adenine riboswitch.

Lei Bao, Wen-Bin Kang, Yi Xiao

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Frequent Collaborators

4 joint publications

Ben-Chao Zhu

1 joint publications

Fa Zhang

1 joint publications

Xin Gao

1 joint publications

Renmin Han