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Oncology Reports
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November 14, 2017
Deubiquitinase USP9X promotes cell migration, invasion and inhibits apoptosis of human pancreatic cancer
Li Liu, Dan Yao, Pengbo Zhang, 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 Medicinal Chemistry
|
June 17, 2022
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2025
LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery
Qun Su, Hui Zhang, Qiaolin Gou, et al.
Nature Communications
|
May 4, 2023
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking
Zhenxing Wu, Jike Wang, Hongyan Du, 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 Medicinal Chemistry
|
July 20, 2023
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization
Jieyu Jin, Dong Wang, Guqin Shi, et al.
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.
Journal of the American Chemical Society
|
August 6, 2025
Precise Chemical Lithiation: A Pathway to Superior Li-Enriched Li<sub>1+<i>x</i></sub>NCM523 Cathodes for Long Life Anode-Free Li Metal Batteries
Tingcan Li, Ruimin Gao, Xuanze 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
Search
Showing results (41-50 of 76) with videos related to
Sort By:
Page
of 8
Oncology Reports
|
November 14, 2017
Deubiquitinase USP9X promotes cell migration, invasion and inhibits apoptosis of human pancreatic cancer
Li Liu, Dan Yao, Pengbo Zhang, 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 Medicinal Chemistry
|
June 17, 2022
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, et al.
The Journal of Physical Chemistry Letters
|
June 16, 2025
LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery
Qun Su, Hui Zhang, Qiaolin Gou, et al.
Nature Communications
|
May 4, 2023
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking
Zhenxing Wu, Jike Wang, Hongyan Du, 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 Medicinal Chemistry
|
July 20, 2023
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization
Jieyu Jin, Dong Wang, Guqin Shi, et al.
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.
Journal of the American Chemical Society
|
August 6, 2025
Precise Chemical Lithiation: A Pathway to Superior Li-Enriched Li<sub>1+<i>x</i></sub>NCM523 Cathodes for Long Life Anode-Free Li Metal Batteries
Tingcan Li, Ruimin Gao, Xuanze 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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of 8