Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention-Reference-Cited by-同舟云学术

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Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention

Published:2024-03-07 Issue:7 Volume:64 Page:2637-2644
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Smith Zachary¹²,Strobel Michael³,Vani Bodhi P.¹^ORCID,Tiwary Pratyush¹⁴^ORCID

Affiliation:

1. Institute for Physical Science and Technology, University of Maryland, College Park 20742, United States

2. Biophysics Program, University of Maryland, College Park 20742, United States

3. Department of Computer Science, University of Maryland, College Park 20742, United States

4. Department of Chemistry and Biochemistry, University of Maryland, College Park 20742, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01698

Reference59 articles.

1. Virtual screening strategies in drug discovery

2. Identification of cavities on protein surface using multiple computational approaches for drug binding site prediction

3. Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects

4. Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations

5. Highly accurate protein structure prediction with AlphaFold

Cited by 7 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. Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE;eLife;2024-09-06

2. Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE;eLife;2024-09-06

3. Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE;2024-08-14

4. Comparative evaluation of methods for the prediction of protein-ligand binding sites;2024-08-08

5. Drug–Target Interaction Prediction Based on an Interactive Inference Network;International Journal of Molecular Sciences;2024-07-15

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