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Journal of Chemical Information and Modeling
|
March 14, 2024
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes
Huifeng Zhao, Dejun Jiang, Chao Shen, et al.
Nature Communications
|
June 5, 2026
Targeting the intrinsically disordered AR-NTD through a machine learning-based enhanced sampling workflow
Kai Zhu, Huating Wang, Jintu Zhang, et al.
Journal of Chemical Information and Modeling
|
August 14, 2023
On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate
Haiyi Chen, Yue Guo, Shengqing Ye, et al.
Chemical Science
|
February 16, 2023
SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation
Haotian Zhang, Shengming Li, Jintu Zhang, et al.
Nature Communications
|
March 7, 2026
A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention
Qun Su, Kai Zhu, Qiaolin Gou, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 26, 2021
Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis
Xueping Hu, Jinping Pang, Jintu Zhang, et al.
Nature Computational Science
|
January 4, 2024
Efficient and accurate large library ligand docking with KarmaDock
Xujun Zhang, Odin Zhang, Chao Shen, et al.
Nature Computational Science
|
October 15, 2025
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
Odin Zhang, Jieyu Jin, Zhenxing Wu, et al.
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Search research articles
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Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Journal of Chemical Information and Modeling
|
March 14, 2024
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes
Huifeng Zhao, Dejun Jiang, Chao Shen, et al.
Nature Communications
|
June 5, 2026
Targeting the intrinsically disordered AR-NTD through a machine learning-based enhanced sampling workflow
Kai Zhu, Huating Wang, Jintu Zhang, et al.
Journal of Chemical Information and Modeling
|
August 14, 2023
On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate
Haiyi Chen, Yue Guo, Shengqing Ye, et al.
Chemical Science
|
February 16, 2023
SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation
Haotian Zhang, Shengming Li, Jintu Zhang, et al.
Nature Communications
|
March 7, 2026
A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention
Qun Su, Kai Zhu, Qiaolin Gou, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
November 26, 2021
Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis
Xueping Hu, Jinping Pang, Jintu Zhang, et al.
Nature Computational Science
|
January 4, 2024
Efficient and accurate large library ligand docking with KarmaDock
Xujun Zhang, Odin Zhang, Chao Shen, et al.
Nature Computational Science
|
October 15, 2025
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
Odin Zhang, Jieyu Jin, Zhenxing Wu, et al.
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of 2