Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding-Reference-Cited by-同舟云学术

Pre‐Training of Equivariant Graph Matching Networks with Conformation Flexibility for Drug Binding

Published:2022-10-06 Issue:33 Volume:9 Page:2203796
ISSN:2198-3844
Container-title:Advanced Science
language:en
Short-container-title:Advanced Science

Author:

Wu Fang¹²,Jin Shuting²³^ORCID,Jiang Yinghui²,Jin Xurui²,Tang Bowen²,Niu Zhangming²,Liu Xiangrong³,Zhang Qiang⁴⁵,Zeng Xiangxiang⁶,Li Stan Z.¹

Affiliation:

1. School of Engineering Westlake University Hangzhou 310024 China

2. MindRank AI Ltd. Hangzhou 310000 China

3. School of Informatics Xiamen University Xiamen 361005 China

4. ZJU‐Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311200 China

5. College of Computer Science and Technology Zhejiang University Hangzhou 310013 China

6. School of Information Science and Engineering Hunan University Hunan 410082 China

Publisher

Wiley

Subject

General Physics and Astronomy,General Engineering,Biochemistry, Genetics and Molecular Biology (miscellaneous),General Materials Science,General Chemical Engineering,Medicine (miscellaneous)

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/advs.202203796

Reference119 articles.

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3. Protein–Ligand Scoring with Convolutional Neural Networks

4. R. J.Townshend M.Vögele P.Suriana A.Derry A.Powers Y.Laloudakis S.Balachandar B.Jing B.Anderson S.Eismann R.Kondor R. B.Altman R. O.Dror arXiv:2012.04035 2020.

5. A machine learning approach to predicting protein–ligand binding affinity with applications to molecular docking

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