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Research (Washington, D.C.)
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January 12, 2024
Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning
Xiaodan Yin, Chang-Yu Hsieh, Xiaorui Wang, et al.
Journal of Chemical Information and Modeling
|
February 1, 2024
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space
Mingyang Wang, Zhengjian Wu, Jike Wang, et al.
Immunopharmacology and Immunotoxicology
|
February 16, 2018
Macrophage migration inhibitory factor (MIF) inhibitor, Z-590 suppresses cartilage destruction in adjuvant-induced arthritis via inhibition of macrophage inflammatory activation
Zhiyu Zhang, Rong Zhang, Linlang Li, et al.
Chemical Reviews
|
September 17, 2025
Graph Neural Networks in Modern AI-Aided Drug Discovery
Odin Zhang, Haitao Lin, Xujun Zhang, et al.
Chemical Science
|
February 26, 2025
Robust protein-ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation
Qun Su, Jike Wang, Qiaolin Gou, et al.
Chemical Science
|
August 30, 2024
Unlocking comprehensive molecular design across all scenarios with large language model and unordered chemical language
Jie Yue, Bingxin Peng, Yu Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2024
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes
Dejun Jiang, Hongyan Du, Huifeng Zhao, et al.
Analytical Chemistry
|
July 16, 2024
Large Language Model-Based Natural Language Encoding Could Be All You Need for Drug Biomedical Association Prediction
Hanyu Zhang, Yuan Zhou, Zhichao Zhang, et al.
JACS Au
|
August 1, 2025
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
Jialu Wu, Yiheng Zhu, Xiaorui Wang, et al.
Journal of Chemical Theory and Computation
|
July 22, 2023
How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation
Dejun Jiang, Huifeng Zhao, Hongyan Du, et al.
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Search research articles
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Showing results (371-380 of 464) with videos related to
Sort By:
Page
of 47
Research (Washington, D.C.)
|
January 12, 2024
Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning
Xiaodan Yin, Chang-Yu Hsieh, Xiaorui Wang, et al.
Journal of Chemical Information and Modeling
|
February 1, 2024
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space
Mingyang Wang, Zhengjian Wu, Jike Wang, et al.
Immunopharmacology and Immunotoxicology
|
February 16, 2018
Macrophage migration inhibitory factor (MIF) inhibitor, Z-590 suppresses cartilage destruction in adjuvant-induced arthritis via inhibition of macrophage inflammatory activation
Zhiyu Zhang, Rong Zhang, Linlang Li, et al.
Chemical Reviews
|
September 17, 2025
Graph Neural Networks in Modern AI-Aided Drug Discovery
Odin Zhang, Haitao Lin, Xujun Zhang, et al.
Chemical Science
|
February 26, 2025
Robust protein-ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation
Qun Su, Jike Wang, Qiaolin Gou, et al.
Chemical Science
|
August 30, 2024
Unlocking comprehensive molecular design across all scenarios with large language model and unordered chemical language
Jie Yue, Bingxin Peng, Yu Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2024
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes
Dejun Jiang, Hongyan Du, Huifeng Zhao, et al.
Analytical Chemistry
|
July 16, 2024
Large Language Model-Based Natural Language Encoding Could Be All You Need for Drug Biomedical Association Prediction
Hanyu Zhang, Yuan Zhou, Zhichao Zhang, et al.
JACS Au
|
August 1, 2025
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
Jialu Wu, Yiheng Zhu, Xiaorui Wang, et al.
Journal of Chemical Theory and Computation
|
July 22, 2023
How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation
Dejun Jiang, Huifeng Zhao, Hongyan Du, et al.
Page
of 47