Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity-Reference-Cited by-同舟云学术

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Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity

Published:2021-08-14 Issue: Volume: Page:
ISSN:
Container-title:Proceedings of the 27th ACM SIGKDD Conference on Knowledge Discovery & Data Mining
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Author:

Li Shuangli¹,Zhou Jingbo²,Xu Tong³,Huang Liang⁴,Wang Fan⁵,Xiong Haoyi⁵,Huang Weili⁶,Dou Dejing²,Xiong Hui⁷

Affiliation:

1. University of Science and Technology of China & Business Intelligence Lab, Baidu Research, Hefei, Anhui, China

2. Business Intelligence Lab, Baidu Research, Beijing, China

3. University of Science and Technology of China, Beijing, China

4. Baidu Research USA & Oregon State University, Corvallis, OR, USA

5. Baidu, Inc., Beijing, China

6. Baidu Inc. & HWL Consulting LLC, Austin, TX, USA

7. Rutgers University, Newark, NJ, USA

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

ACM

Link

https://dl.acm.org/doi/pdf/10.1145/3447548.3467311

Reference48 articles.

1. DOCK 6: Impact of new features and current docking performance

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

3. A Structure-Based Drug Discovery Paradigm

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