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Chemical Science
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March 27, 2025
Correction: DiffBP: generative diffusion of 3D molecules for target protein binding
Haitao Lin, Yufei Huang, Odin Zhang, et al.
Journal of Cheminformatics
|
December 12, 2022
ReMODE: a deep learning-based web server for target-specific drug design
Mingyang Wang, Jike Wang, Gaoqi Weng, et al.
Briefings in Bioinformatics
|
December 27, 2022
Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors
Dong Wang, Zhenxing Wu, Chao Shen, et al.
Journal of Chemical Information and Modeling
|
August 20, 2015
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors
Yu Zhang, Lei Xu, Zhiqiang Zhang, et al.
Journal of Chemical Information and Modeling
|
January 19, 2019
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations
Ye Jin, Mojie Duan, Xuwen Wang, et al.
Briefings in Bioinformatics
|
December 14, 2020
Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets
Zhenxing Wu, Minfeng Zhu, Yu Kang, et al.
Nucleic Acids Research
|
May 11, 2023
RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction
Yunxia Wang, Zhen Chen, Ziqi Pan, et al.
Journal of Chemical Information and Modeling
|
August 12, 2025
PepPCBench is a Comprehensive Benchmarking Framework for Protein-Peptide Complex Structure Prediction
Silong Zhai, Huifeng Zhao, Jike Wang, 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.
Scientific Reports
|
November 17, 2015
Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays
Mingyun Shen, Sheng Tian, Peichen Pan, et al.
Page
of 47
Search research articles
Search
Showing results (321-330 of 464) with videos related to
Sort By:
Page
of 47
Chemical Science
|
March 27, 2025
Correction: DiffBP: generative diffusion of 3D molecules for target protein binding
Haitao Lin, Yufei Huang, Odin Zhang, et al.
Journal of Cheminformatics
|
December 12, 2022
ReMODE: a deep learning-based web server for target-specific drug design
Mingyang Wang, Jike Wang, Gaoqi Weng, et al.
Briefings in Bioinformatics
|
December 27, 2022
Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors
Dong Wang, Zhenxing Wu, Chao Shen, et al.
Journal of Chemical Information and Modeling
|
August 20, 2015
Structure-Activity Relationships and Anti-inflammatory Activities of N-Carbamothioylformamide Analogues as MIF Tautomerase Inhibitors
Yu Zhang, Lei Xu, Zhiqiang Zhang, et al.
Journal of Chemical Information and Modeling
|
January 19, 2019
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations
Ye Jin, Mojie Duan, Xuwen Wang, et al.
Briefings in Bioinformatics
|
December 14, 2020
Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets
Zhenxing Wu, Minfeng Zhu, Yu Kang, et al.
Nucleic Acids Research
|
May 11, 2023
RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction
Yunxia Wang, Zhen Chen, Ziqi Pan, et al.
Journal of Chemical Information and Modeling
|
August 12, 2025
PepPCBench is a Comprehensive Benchmarking Framework for Protein-Peptide Complex Structure Prediction
Silong Zhai, Huifeng Zhao, Jike Wang, 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.
Scientific Reports
|
November 17, 2015
Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays
Mingyun Shen, Sheng Tian, Peichen Pan, et al.
Page
of 47