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Current Opinion in Structural Biology
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November 25, 2021
Deep learning approaches for de novo drug design: An overview
Mingyang Wang, Zhe Wang, Huiyong Sun, et al.
Journal of Cheminformatics
|
November 2, 2022
VGSC-DB: an online database of voltage-gated sodium channels
Gaoang Wang, Jiahui Yu, Hongyan Du, 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.
Molecular Pharmaceutics
|
October 18, 2017
ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches
Tailong Lei, Huiyong Sun, Yu Kang, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Benchmark Study Based on 2P2I<sub>DB</sub> to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors
Zhe Wang, Yu Kang, Dan Li, et al.
Nature Communications
|
April 11, 2026
LaMGen: LLM-based 3D molecular generation for multi-target drug design
Qun Su, Qiaolin Gou, Hui Zhang, et al.
Chemical Biology & Drug Design
|
April 8, 2015
Prediction of human clearance based on animal data and molecular properties
Wenkang Huang, Lv Geng, Rong Deng, et al.
Journal of Medicinal Chemistry
|
September 28, 2024
Discovery of Thiadiazoleamide Derivatives as Potent, Selective, and Orally Available Antagonists Disrupting Androgen Receptor Homodimer
Jianing Liao, Chenxian Hu, Weitao Fu, et al.
Journal of Medicinal Chemistry
|
December 28, 2023
Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design
Haiyang Zhong, Xinyue Wang, Shicheng Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2018
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches
Huiyong Sun, Lili Duan, Fu Chen, et al.
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of 47
Search research articles
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Showing results (301-310 of 464) with videos related to
Sort By:
Page
of 47
Current Opinion in Structural Biology
|
November 25, 2021
Deep learning approaches for de novo drug design: An overview
Mingyang Wang, Zhe Wang, Huiyong Sun, et al.
Journal of Cheminformatics
|
November 2, 2022
VGSC-DB: an online database of voltage-gated sodium channels
Gaoang Wang, Jiahui Yu, Hongyan Du, 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.
Molecular Pharmaceutics
|
October 18, 2017
ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches
Tailong Lei, Huiyong Sun, Yu Kang, et al.
The Journal of Physical Chemistry. B
|
February 9, 2018
Benchmark Study Based on 2P2I<sub>DB</sub> to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors
Zhe Wang, Yu Kang, Dan Li, et al.
Nature Communications
|
April 11, 2026
LaMGen: LLM-based 3D molecular generation for multi-target drug design
Qun Su, Qiaolin Gou, Hui Zhang, et al.
Chemical Biology & Drug Design
|
April 8, 2015
Prediction of human clearance based on animal data and molecular properties
Wenkang Huang, Lv Geng, Rong Deng, et al.
Journal of Medicinal Chemistry
|
September 28, 2024
Discovery of Thiadiazoleamide Derivatives as Potent, Selective, and Orally Available Antagonists Disrupting Androgen Receptor Homodimer
Jianing Liao, Chenxian Hu, Weitao Fu, et al.
Journal of Medicinal Chemistry
|
December 28, 2023
Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design
Haiyang Zhong, Xinyue Wang, Shicheng Chen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2018
Assessing the performance of MM/PBSA and MM/GBSA methods. 7. Entropy effects on the performance of end-point binding free energy calculation approaches
Huiyong Sun, Lili Duan, Fu Chen, et al.
Page
of 47