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Physical Chemistry Chemical Physics : PCCP
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August 18, 2016
Lithium intercalation and diffusion in TiO2 nanotubes: a first-principles investigation
Ke Liang, Xue Chen, Zhenyu Guo, et al.
Journal of Chemical Information and Modeling
|
September 18, 2025
Revisiting Protein-Protein Docking: A Systematic Evaluation Framework
Linlong Jiang, Ke Zhang, Kai Zhu, et al.
Journal of Chemical Information and Modeling
|
October 24, 2019
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches
Zhenxing Wu, Tailong Lei, Chao Shen, et al.
Combinatorial Chemistry & High Throughput Screening
|
January 24, 2012
Insight into the structural requirements of narlaprevir-type inhibitors of NS3/NS4A protease based on HQSAR and molecular field analyses
Jingyu Zhu, Youyong Li, Huidong Yu, et al.
Journal of Chemical Information and Modeling
|
September 10, 2013
Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures
Sheng Tian, Huiyong Sun, Youyong Li, et al.
Drug Discovery Today
|
October 1, 2013
Advances in the development of Rho-associated protein kinase (ROCK) inhibitors
Peichen Pan, Mingyun Shen, Huidong Yu, et al.
Drug Discovery Today
|
December 3, 2014
Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modeling
Mingyun Shen, Peichen Pan, Youyong Li, et al.
Journal of Cheminformatics
|
February 4, 2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling
Tailong Lei, Youyong Li, Yunlong Song, et al.
Antiviral Research
|
January 28, 2014
The competitive binding between inhibitors and substrates of HCV NS3/4A protease: a general mechanism of drug resistance
Yan Guan, Huiyong Sun, Youyong Li, et al.
Journal of Chemical Information and Modeling
|
February 15, 2023
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials
Jintu Zhang, Haotian Zhang, Zhixin Qin, et al.
Page
of 47
Search research articles
Search
Showing results (111-120 of 464) with videos related to
Sort By:
Page
of 47
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2016
Lithium intercalation and diffusion in TiO2 nanotubes: a first-principles investigation
Ke Liang, Xue Chen, Zhenyu Guo, et al.
Journal of Chemical Information and Modeling
|
September 18, 2025
Revisiting Protein-Protein Docking: A Systematic Evaluation Framework
Linlong Jiang, Ke Zhang, Kai Zhu, et al.
Journal of Chemical Information and Modeling
|
October 24, 2019
ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches
Zhenxing Wu, Tailong Lei, Chao Shen, et al.
Combinatorial Chemistry & High Throughput Screening
|
January 24, 2012
Insight into the structural requirements of narlaprevir-type inhibitors of NS3/NS4A protease based on HQSAR and molecular field analyses
Jingyu Zhu, Youyong Li, Huidong Yu, et al.
Journal of Chemical Information and Modeling
|
September 10, 2013
Development and evaluation of an integrated virtual screening strategy by combining molecular docking and pharmacophore searching based on multiple protein structures
Sheng Tian, Huiyong Sun, Youyong Li, et al.
Drug Discovery Today
|
October 1, 2013
Advances in the development of Rho-associated protein kinase (ROCK) inhibitors
Peichen Pan, Mingyun Shen, Huidong Yu, et al.
Drug Discovery Today
|
December 3, 2014
Farnesyltransferase and geranylgeranyltransferase I: structures, mechanism, inhibitors and molecular modeling
Mingyun Shen, Peichen Pan, Youyong Li, et al.
Journal of Cheminformatics
|
February 4, 2016
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling
Tailong Lei, Youyong Li, Yunlong Song, et al.
Antiviral Research
|
January 28, 2014
The competitive binding between inhibitors and substrates of HCV NS3/4A protease: a general mechanism of drug resistance
Yan Guan, Huiyong Sun, Youyong Li, et al.
Journal of Chemical Information and Modeling
|
February 15, 2023
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials
Jintu Zhang, Haotian Zhang, Zhixin Qin, et al.
Page
of 47