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Frontiers in Pharmacology
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March 13, 2020
Predicting or Pretending: Artificial Intelligence for Protein-Ligand Interactions Lack of Sufficiently Large and Unbiased Datasets
Jincai Yang, Cheng Shen, Niu Huang
Future Medicinal Chemistry
|
December 7, 2018
A survey of the role of nitrile groups in protein-ligand interactions
Yuanxun Wang, Yunfei Du, Niu Huang
Journal of Chemical Information and Modeling
|
August 18, 2025
AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications
Shihan Xie, Hui Zhu, Niu Huang
Medicine
|
February 24, 2026
Genotype-guided conservative management of mesenteric desmoid tumors: A case report of intermediate-region APC mutations
Niu Huang, Guang Shi, Xue-Lai Luo
Journal of Computational Chemistry
|
February 20, 2013
A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space
Yao Wu, Xiaodong Dai, Niu Huang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 31, 2002
Protein-facilitated base flipping in DNA by cytosine-5-methyltransferase
Niu Huang, Nilesh K Banavali, Alexander D MacKerell
Journal of Medicinal Chemistry
|
December 13, 2006
Benchmarking sets for molecular docking
Niu Huang, Brian K Shoichet, John J Irwin
Pharmaceuticals (Basel, Switzerland)
|
January 27, 2021
Structure, Function, and Pharmaceutical Ligands of 5-Hydroxytryptamine 2B Receptor
Qing Wang, Yu Zhou, Jianhui Huang, et al.
The Journal of Physical Chemistry. B
|
June 15, 2006
Conserved patterns in backbone torsional changes allow for single base flipping from duplex DNA with minimal distortion of the double helix
Nilesh K Banavali, Niu Huang, Alexander D MacKerell
International Journal of Molecular Sciences
|
December 23, 2022
A Comprehensive Survey of Prospective Structure-Based Virtual Screening for Early Drug Discovery in the Past Fifteen Years
Hui Zhu, Yulin Zhang, Wei Li, et al.
Page
of 13
Search research articles
Search
Showing results (11-20 of 127) with videos related to
Sort By:
Page
of 13
Frontiers in Pharmacology
|
March 13, 2020
Predicting or Pretending: Artificial Intelligence for Protein-Ligand Interactions Lack of Sufficiently Large and Unbiased Datasets
Jincai Yang, Cheng Shen, Niu Huang
Future Medicinal Chemistry
|
December 7, 2018
A survey of the role of nitrile groups in protein-ligand interactions
Yuanxun Wang, Yunfei Du, Niu Huang
Journal of Chemical Information and Modeling
|
August 18, 2025
AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications
Shihan Xie, Hui Zhu, Niu Huang
Medicine
|
February 24, 2026
Genotype-guided conservative management of mesenteric desmoid tumors: A case report of intermediate-region APC mutations
Niu Huang, Guang Shi, Xue-Lai Luo
Journal of Computational Chemistry
|
February 20, 2013
A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space
Yao Wu, Xiaodong Dai, Niu Huang, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 31, 2002
Protein-facilitated base flipping in DNA by cytosine-5-methyltransferase
Niu Huang, Nilesh K Banavali, Alexander D MacKerell
Journal of Medicinal Chemistry
|
December 13, 2006
Benchmarking sets for molecular docking
Niu Huang, Brian K Shoichet, John J Irwin
Pharmaceuticals (Basel, Switzerland)
|
January 27, 2021
Structure, Function, and Pharmaceutical Ligands of 5-Hydroxytryptamine 2B Receptor
Qing Wang, Yu Zhou, Jianhui Huang, et al.
The Journal of Physical Chemistry. B
|
June 15, 2006
Conserved patterns in backbone torsional changes allow for single base flipping from duplex DNA with minimal distortion of the double helix
Nilesh K Banavali, Niu Huang, Alexander D MacKerell
International Journal of Molecular Sciences
|
December 23, 2022
A Comprehensive Survey of Prospective Structure-Based Virtual Screening for Early Drug Discovery in the Past Fifteen Years
Hui Zhu, Yulin Zhang, Wei Li, et al.
Page
of 13