Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking-Reference-Cited by-同舟云学术

Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking

Published:2021-06-03 Issue:12 Volume:12 Page:2133-2142
ISSN:1948-7193
Container-title:ACS Chemical Neuroscience
language:en
Short-container-title:ACS Chem. Neurosci.

Author:

Yang Lijuan¹²³⁴,Yang Guanghui¹⁴,Chen Xiaolong¹⁴,Yang Qiong¹⁴,Yao Xiaojun⁵^ORCID,Bing Zhitong¹⁴,Niu Yuzhen⁶,Huang Liang²^ORCID,Yang Lei¹⁴^ORCID

Affiliation:

1. Institute of Modern Physics, Chinese Academy of Science, Lanzhou 730000, China

2. School of Physics and Technology, Lanzhou University, Lanzhou 730000, China

3. School of Physics, University of Chinese Academy of Science, Beijing 100049, China

4. Advanced Energy Science and Technology Guangdong Laboratory, Huizhou 516000, China

5. College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China

6. Shandong Provincial Research Center for Bioinformatic Engineering and Technique, School of Life Sciences, Shandong University of Technology, Zibo 255049, China

Funder

Chinese Academy of Sciences

Guangdong Laboratory of Advanced Energy Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Cell Biology,Cognitive Neuroscience,Physiology,Biochemistry,General Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acschemneuro.1c00110

Reference59 articles.

1. Galantamine treatment in outpatients with mild Alzheimer's disease

2. Lack of Evidence for the Efficacy of Memantine in Mild Alzheimer Disease

3. Discovery of Novel and Selective Adenosine A2A Receptor Antagonists for Treating Parkinson’s Disease through Comparative Structure-Based Virtual Screening

4. Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands

5. Identifying GSK-3β kinase inhibitors of Alzheimer's disease: Virtual screening, enzyme, and cell assays

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