Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer-Reference-Cited by-全球学者库

Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer

Published:2022-08-02 Issue:15 Volume:65 Page:10691-10706
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Shen Chao¹²³^ORCID,Zhang Xujun¹,Deng Yafeng³,Gao Junbo¹,Wang Dong¹,Xu Lei⁴,Pan Peichen¹^ORCID,Hou Tingjun¹²^ORCID,Kang Yu¹^ORCID

Affiliation:

1. Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang 310058, China

2. State Key Lab of CAD&CG, Zhejiang University, Hangzhou, Zhejiang 310058, China

3. CarbonSilicon AI Technology Co., Ltd, Hangzhou, Zhejiang 310018, China

4. Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, Jiangsu University of Technology, Changzhou 213001, China

Funder

Ministry of Science and Technology of the People's Republic of China

Central University Basic Research Fund of China

Natural Science Foundation of Zhejiang Province

Key Research and development Program of Zhejiang Province

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.2c00991

Reference75 articles.