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

Author:

Yang Lijuan1234,Yang Guanghui14,Chen Xiaolong14,Yang Qiong14,Yao Xiaojun5ORCID,Bing Zhitong14,Niu Yuzhen6,Huang Liang2ORCID,Yang Lei14ORCID

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

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