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Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
April 22, 2026
Revisiting Target-Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter
Rui Qin, Zijie Chen, Yurong Li, et al.
European Journal of Medicinal Chemistry
|
June 16, 2026
Discovery of Benfotiamine as a subnanomolar P2Y<sub>14</sub>R antagonist for inflammatory diseases via drug repurposing and molecular dynamics-guided mechanism elucidation
Kai Wang, Chunxiao Liu, Gui Shao, et al.
European Journal of Medicinal Chemistry
|
July 3, 2026
Corrigendum to "Discovery of Benfotiamine as a subnanomolar P2Y<sub>14</sub>R antagonist for inflammatory diseases via drug repurposing and molecular dynamics-guided mechanism elucidation" [Eur. J. Med. Chem. 316 (2026) 119068]
Kai Wang, Chunxiao Liu, Gui Shao, et al.
Signal Transduction and Targeted Therapy
|
October 17, 2022
A small molecule inhibitor of the UBE2F-CRL5 axis induces apoptosis and radiosensitization in lung cancer
Tiantian Xu, Qisheng Ma, Yanan Li, et al.
Briefings in Bioinformatics
|
January 8, 2021
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?
Chao Shen, Gaoqi Weng, Xujun Zhang, 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.
Journal of Chemical Information and Modeling
|
April 17, 2024
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios
Shukai Gu, Yuwei Yang, Yihao Zhao, et al.
Molecular Pharmacology
|
January 12, 2011
The tricyclic antidepressant amitriptyline inhibits D-cyclin transactivation and induces myeloma cell apoptosis by inhibiting histone deacetylases: in vitro and in silico evidence
Xinliang Mao, Tingjun Hou, Biyin Cao, et al.
Journal of Medicinal Chemistry
|
December 8, 2021
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
Dejun Jiang, Chang-Yu Hsieh, Zhenxing Wu, et al.
Journal of Chemical Information and Modeling
|
May 15, 2023
Molecular Generation with Reduced Labeling through Constraint Architecture
Jike Wang, Yundian Zeng, Huiyong Sun, et al.
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Search research articles
Search
Showing results (361-370 of 464) with videos related to
Sort By:
Page
of 47
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
April 22, 2026
Revisiting Target-Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter
Rui Qin, Zijie Chen, Yurong Li, et al.
European Journal of Medicinal Chemistry
|
June 16, 2026
Discovery of Benfotiamine as a subnanomolar P2Y<sub>14</sub>R antagonist for inflammatory diseases via drug repurposing and molecular dynamics-guided mechanism elucidation
Kai Wang, Chunxiao Liu, Gui Shao, et al.
European Journal of Medicinal Chemistry
|
July 3, 2026
Corrigendum to "Discovery of Benfotiamine as a subnanomolar P2Y<sub>14</sub>R antagonist for inflammatory diseases via drug repurposing and molecular dynamics-guided mechanism elucidation" [Eur. J. Med. Chem. 316 (2026) 119068]
Kai Wang, Chunxiao Liu, Gui Shao, et al.
Signal Transduction and Targeted Therapy
|
October 17, 2022
A small molecule inhibitor of the UBE2F-CRL5 axis induces apoptosis and radiosensitization in lung cancer
Tiantian Xu, Qisheng Ma, Yanan Li, et al.
Briefings in Bioinformatics
|
January 8, 2021
Accuracy or novelty: what can we gain from target-specific machine-learning-based scoring functions in virtual screening?
Chao Shen, Gaoqi Weng, Xujun Zhang, 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.
Journal of Chemical Information and Modeling
|
April 17, 2024
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios
Shukai Gu, Yuwei Yang, Yihao Zhao, et al.
Molecular Pharmacology
|
January 12, 2011
The tricyclic antidepressant amitriptyline inhibits D-cyclin transactivation and induces myeloma cell apoptosis by inhibiting histone deacetylases: in vitro and in silico evidence
Xinliang Mao, Tingjun Hou, Biyin Cao, et al.
Journal of Medicinal Chemistry
|
December 8, 2021
InteractionGraphNet: A Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
Dejun Jiang, Chang-Yu Hsieh, Zhenxing Wu, et al.
Journal of Chemical Information and Modeling
|
May 15, 2023
Molecular Generation with Reduced Labeling through Constraint Architecture
Jike Wang, Yundian Zeng, Huiyong Sun, et al.
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of 47