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DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening

  • Published:2022-09 Issue: Volume:205 Page:247-262
  • ISSN:1046-2023
  • Container-title:Methods
  • language:en
  • Short-container-title:Methods

Author:

Zhang Haiping,Zhang Tingting,Saravanan Konda Mani,Liao Linbu,Wu Hao,Zhang Haishan,Zhang Huiling,Pan Yi,Wu Xuli,Wei Yanjie

Publisher

Elsevier BV

Subject

General Biochemistry, Genetics and Molecular Biology,Molecular Biology

Reference74 articles.

1. Molecular dynamics simulations and novel drug discovery;Liu;Expert Opin. Drug Discov.,2018

2. Virtual screening in drug discovery – a computational perspective;Srinivas Reddy;Curr. Protein Pept. Sci.,2007

3. Virtual screen for repurposing approved and experimental drugs for candidate inhibitors of EBOLA virus infection;Veljkovic;F1000Research,2015

4. Statistical and machine learning approaches to predicting protein–ligand interactions;Colwell;Curr. Opin. Struct. Biol.,2018

5. Directory of useful decoys, enhanced (DUD-E): Better ligands and decoys for better benchmarking;Mysinger;J. Med. Chem.,2012

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