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Journal of Cheminformatics
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July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screening
Xujun Zhang, Chao Shen, Dejun Jiang, et al.
Briefings in Bioinformatics
|
January 21, 2022
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning
Dejun Jiang, Huiyong Sun, Jike Wang, et al.
Briefings in Bioinformatics
|
April 19, 2022
Knowledge-based BERT: a method to extract molecular features like computational chemists
Zhenxing Wu, Dejun Jiang, Jike Wang, et al.
Journal of Chemical Information and Modeling
|
May 20, 2021
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations
Ercheng Wang, Weitao Fu, Dejun Jiang, et al.
Chemical Science
|
September 3, 2025
Decoding the limits of deep learning in molecular docking for drug discovery
Yue Li, Jiacai Yi, Hui Li, et al.
Communications Chemistry
|
November 6, 2025
A fused deep learning approach to transform drug repositioning
Kun Li, Jiacai Yi, Qing Ye, et al.
Nucleic Acids Research
|
May 19, 2026
DeepCYP: an integrated deep learning web server for the holistic "pathway-site product" prediction of CYP450 metabolism
Yiling Zhou, Sen Yang, Xiaoli Wang, et al.
Oncotarget
|
December 10, 2015
microRNA-342-5p and miR-608 inhibit colon cancer tumorigenesis by targeting NAA10
Hongju Yang, Qian Li, Jie Niu, et al.
Briefings in Bioinformatics
|
July 3, 2024
AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences
Ruofan Jin, Qing Ye, Jike Wang, et al.
Journal of Cheminformatics
|
February 18, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, et al.
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of 6
Search research articles
Search
Showing results (21-30 of 52) with videos related to
Sort By:
Page
of 6
Journal of Cheminformatics
|
July 4, 2023
TB-IECS: an accurate machine learning-based scoring function for virtual screening
Xujun Zhang, Chao Shen, Dejun Jiang, et al.
Briefings in Bioinformatics
|
January 21, 2022
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning
Dejun Jiang, Huiyong Sun, Jike Wang, et al.
Briefings in Bioinformatics
|
April 19, 2022
Knowledge-based BERT: a method to extract molecular features like computational chemists
Zhenxing Wu, Dejun Jiang, Jike Wang, et al.
Journal of Chemical Information and Modeling
|
May 20, 2021
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations
Ercheng Wang, Weitao Fu, Dejun Jiang, et al.
Chemical Science
|
September 3, 2025
Decoding the limits of deep learning in molecular docking for drug discovery
Yue Li, Jiacai Yi, Hui Li, et al.
Communications Chemistry
|
November 6, 2025
A fused deep learning approach to transform drug repositioning
Kun Li, Jiacai Yi, Qing Ye, et al.
Nucleic Acids Research
|
May 19, 2026
DeepCYP: an integrated deep learning web server for the holistic "pathway-site product" prediction of CYP450 metabolism
Yiling Zhou, Sen Yang, Xiaoli Wang, et al.
Oncotarget
|
December 10, 2015
microRNA-342-5p and miR-608 inhibit colon cancer tumorigenesis by targeting NAA10
Hongju Yang, Qian Li, Jie Niu, et al.
Briefings in Bioinformatics
|
July 3, 2024
AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences
Ruofan Jin, Qing Ye, Jike Wang, et al.
Journal of Cheminformatics
|
February 18, 2021
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
Dejun Jiang, Zhenxing Wu, Chang-Yu Hsieh, et al.
Page
of 6