EViS: An Enhanced Virtual Screening Approach Based on Pocket–Ligand Similarity-Reference-Cited by-同舟云学术

EViS: An Enhanced Virtual Screening Approach Based on Pocket–Ligand Similarity

Published:2022-01-27 Issue:3 Volume:62 Page:498-510
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zhang Wenyi¹²³,Huang Jing¹²³^ORCID

Affiliation:

1. Westlake AI Therapeutics Lab, Westlake Laboratory of Life Sciences and Biomedicine, 18 Shilongshan Road, Hangzhou, Zhejiang 310024, China

2. Key Laboratory of Structural Biology of Zhejiang Province, School of Life Sciences, Westlake University, 18 Shilongshan Road, Hangzhou, Zhejiang 310024, China

3. Institute of Biology, Westlake Institute for Advanced Study, 18 Shilongshan Road, Hangzhou, Zhejiang 310024, China

Funder

Tencent

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Westlake Educational Foundation

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00944

Reference63 articles.

1. Exploring Chemical Space for Drug Discovery Using the Chemical Universe Database

2. The Chemical Space Project

3. Comparison of alamar blue and MTT assays for high through-put screening

4. Virtual screening strategies in drug discovery

5. Novel technologies for virtual screening

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets;Journal of Chemical Information and Modeling;2024-07-03

2. Protein language models are performant in structure-free virtual screening;2024-04-20

3. CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction;BMC Bioinformatics;2023-11-23

4. BioLiP2: an updated structure database for biologically relevant ligand–protein interactions;Nucleic Acids Research;2023-07-31

5. A Simple Way to Incorporate Target Structural Information in Molecular Generative Models;Journal of Chemical Information and Modeling;2023-06-15