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Journal of Medicinal Chemistry
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January 29, 2026
PLMCA: A General Multimodal Protein-Ligand Cross-Attention Framework for Pocket Identification and Binding Affinity Prediction
Yi He, Minghao Liu, Haohao Wang, et al.
Environmental Research
|
August 16, 2025
Enhancing carbonation resistance of alkali-activated fly ash-slag pastes: Role of albite and dolomite additives
Bei Pan, Yigang Lv, Bai Zhang, et al.
International Journal of Molecular Sciences
|
September 30, 2014
Molecular modeling and MM-PBSA free energy analysis of endo-1,4-β-xylanase from Ruminococcus albus 8
Dongling Zhan, Lei Yu, Hanyong Jin, et al.
Journal of Chemical Information and Modeling
|
April 11, 2025
Prediction of Umami Peptides Based on a Large Language Model of Proteins
Yi He, Zhenglin Tian, Jingxian Zheng, et al.
Expert Opinion on Drug Safety
|
March 31, 2025
A disproportionality analysis of hydrocortisone-related adverse events: a real-world pharmacovigilance study using the FAERS database
Xiaoyu Wang, Fan An, Xuelian Zhao, et al.
Journal of Hazardous Materials
|
March 30, 2025
Unveiling drug-induced osteotoxicity: A machine learning approach and webserver
Huizi Cui, Yi He, Zhibang Wang, et al.
Journal of Chemical Information and Modeling
|
March 24, 2025
Mechanistic Study of Protein Interaction with Natto Inhibitory Peptides Targeting Xanthine Oxidase: Insights from Machine Learning and Molecular Dynamics Simulations
Minghao Liu, Kaiyu Wang, Yan Zhang, et al.
The International Journal of Neuroscience
|
May 15, 2013
TRO19622 promotes myelin repair in a rat model of demyelination
Yiqiao Li, Yanyan Zhang, Weiwei Han, et al.
Journal of Biomolecular Structure & Dynamics
|
July 10, 2015
Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations
Dongmei Wang, Hanyong Jin, Junling Wang, et al.
Journal of Chemical Information and Modeling
|
September 21, 2016
Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies
Mengdan Qian, Yaming Shan, Shanshan Guan, et al.
Page
of 23
Search research articles
Search
Showing results (71-80 of 226) with videos related to
Sort By:
Page
of 23
Journal of Medicinal Chemistry
|
January 29, 2026
PLMCA: A General Multimodal Protein-Ligand Cross-Attention Framework for Pocket Identification and Binding Affinity Prediction
Yi He, Minghao Liu, Haohao Wang, et al.
Environmental Research
|
August 16, 2025
Enhancing carbonation resistance of alkali-activated fly ash-slag pastes: Role of albite and dolomite additives
Bei Pan, Yigang Lv, Bai Zhang, et al.
International Journal of Molecular Sciences
|
September 30, 2014
Molecular modeling and MM-PBSA free energy analysis of endo-1,4-β-xylanase from Ruminococcus albus 8
Dongling Zhan, Lei Yu, Hanyong Jin, et al.
Journal of Chemical Information and Modeling
|
April 11, 2025
Prediction of Umami Peptides Based on a Large Language Model of Proteins
Yi He, Zhenglin Tian, Jingxian Zheng, et al.
Expert Opinion on Drug Safety
|
March 31, 2025
A disproportionality analysis of hydrocortisone-related adverse events: a real-world pharmacovigilance study using the FAERS database
Xiaoyu Wang, Fan An, Xuelian Zhao, et al.
Journal of Hazardous Materials
|
March 30, 2025
Unveiling drug-induced osteotoxicity: A machine learning approach and webserver
Huizi Cui, Yi He, Zhibang Wang, et al.
Journal of Chemical Information and Modeling
|
March 24, 2025
Mechanistic Study of Protein Interaction with Natto Inhibitory Peptides Targeting Xanthine Oxidase: Insights from Machine Learning and Molecular Dynamics Simulations
Minghao Liu, Kaiyu Wang, Yan Zhang, et al.
The International Journal of Neuroscience
|
May 15, 2013
TRO19622 promotes myelin repair in a rat model of demyelination
Yiqiao Li, Yanyan Zhang, Weiwei Han, et al.
Journal of Biomolecular Structure & Dynamics
|
July 10, 2015
Exploration of the chlorpyrifos escape pathway from acylpeptide hydrolases using steered molecular dynamics simulations
Dongmei Wang, Hanyong Jin, Junling Wang, et al.
Journal of Chemical Information and Modeling
|
September 21, 2016
Structural Basis of Fullerene Derivatives as Novel Potent Inhibitors of Protein Tyrosine Phosphatase 1B: Insight into the Inhibitory Mechanism through Molecular Modeling Studies
Mengdan Qian, Yaming Shan, Shanshan Guan, et al.
Page
of 23