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Journal of Medicinal Chemistry
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September 26, 2022
Discovery of 2-(1-(3-Chloro-4-cyanophenyl)-1<i>H</i>-pyrazol-3-yl)acetamides as Potent, Selective, and Orally Available Antagonists Targeting the Androgen Receptor
Changwei Chen, Xin Chai, Xueping Hu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2015
Molecular principle of the cyclin-dependent kinase selectivity of 4-(thiazol-5-yl)-2-(phenylamino) pyrimidine-5-carbonitrile derivatives revealed by molecular modeling studies
Xiaotian Kong, Huiyong Sun, Peichen Pan, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO2 Nanotubes: Time-Domain Ab Initio Analysis
Zhenyu Guo, Oleg V Prezhdo, Tingjun Hou, et al.
Molecular Pharmaceutics
|
March 3, 2012
ADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockage
Sichao Wang, Youyong Li, Junmei Wang, et al.
Chemical Reviews
|
October 22, 2025
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Kai Zhu, Enrico Trizio, Jintu Zhang, et al.
Drug Discovery Today
|
September 9, 2019
DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs
Jie Yu, Tianli Xie, Zhe Wang, et al.
Journal of Medicinal Chemistry
|
August 17, 2019
Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)
Xiaotian Kong, Peichen Pan, Huiyong Sun, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 23, 2016
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking
Fu Chen, Hui Liu, Huiyong Sun, et al.
Journal of Chemical Theory and Computation
|
December 12, 2024
Descriptor-Free Collective Variables from Geometric Graph Neural Networks
Jintu Zhang, Luigi Bonati, Enrico Trizio, et al.
Evidence-Based Complementary and Alternative Medicine : Ecam
|
May 11, 2013
Platelet aggregation pathway network-based approach for evaluating compounds efficacy
Jiangyong Gu, Qian Li, Lirong Chen, et al.
Page
of 47
Search research articles
Search
Showing results (161-170 of 464) with videos related to
Sort By:
Page
of 47
Journal of Medicinal Chemistry
|
September 26, 2022
Discovery of 2-(1-(3-Chloro-4-cyanophenyl)-1<i>H</i>-pyrazol-3-yl)acetamides as Potent, Selective, and Orally Available Antagonists Targeting the Androgen Receptor
Changwei Chen, Xin Chai, Xueping Hu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2015
Molecular principle of the cyclin-dependent kinase selectivity of 4-(thiazol-5-yl)-2-(phenylamino) pyrimidine-5-carbonitrile derivatives revealed by molecular modeling studies
Xiaotian Kong, Huiyong Sun, Peichen Pan, et al.
The Journal of Physical Chemistry Letters
|
August 14, 2015
Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO2 Nanotubes: Time-Domain Ab Initio Analysis
Zhenyu Guo, Oleg V Prezhdo, Tingjun Hou, et al.
Molecular Pharmaceutics
|
March 3, 2012
ADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockage
Sichao Wang, Youyong Li, Junmei Wang, et al.
Chemical Reviews
|
October 22, 2025
Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications
Kai Zhu, Enrico Trizio, Jintu Zhang, et al.
Drug Discovery Today
|
September 9, 2019
DNA methyltransferases: emerging targets for the discovery of inhibitors as potent anticancer drugs
Jie Yu, Tianli Xie, Zhe Wang, et al.
Journal of Medicinal Chemistry
|
August 17, 2019
Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK)
Xiaotian Kong, Peichen Pan, Huiyong Sun, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 23, 2016
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein-protein binding free energies and re-rank binding poses generated by protein-protein docking
Fu Chen, Hui Liu, Huiyong Sun, et al.
Journal of Chemical Theory and Computation
|
December 12, 2024
Descriptor-Free Collective Variables from Geometric Graph Neural Networks
Jintu Zhang, Luigi Bonati, Enrico Trizio, et al.
Evidence-Based Complementary and Alternative Medicine : Ecam
|
May 11, 2013
Platelet aggregation pathway network-based approach for evaluating compounds efficacy
Jiangyong Gu, Qian Li, Lirong Chen, et al.
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of 47