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Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset
Claire Colas
, Bogdan I. Iorga
Graduate School of Biomedical Sciences
Icahn School of Medicine at Mount Sinai
Research output
:
Contribution to journal
›
Article
›
peer-review
13
Scopus citations
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Dive into the research topics of 'Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset'. Together they form a unique fingerprint.
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Keyphrases
Binding Site
100%
Binder
100%
HIV Protease Inhibitors
100%
Virtual Screening
100%
Docking Software
100%
SAMPL4
100%
LEDGF
100%
Docking Protocol
100%
ChemScore
100%
Structural Information
50%
Ortho
50%
Training Set
50%
Gliding
50%
Being Present
50%
Carboxylate
50%
HIV Integrase
50%
Functional Groups
50%
Scoring Function
50%
Alkoxy
50%
ROC-AUC
50%
Enrichment Factor
50%
Software Functions
50%
Docking Score
50%
Pharmacology, Toxicology and Pharmaceutical Science
Binding Site
100%
Virtual Screening
100%
Integrase Inhibitor
100%
Lens Epithelium Derived Growth Factor
100%
HIV
50%
Integrase
50%
Carboxylate
50%
Functional Groups
50%
Agricultural and Biological Sciences
Integrase Inhibitor
100%
HIV Integrase
100%
Virtual Screening
100%
Biochemistry, Genetics and Molecular Biology
Human Immunodeficiency Virus
100%
Integrase
100%
Binding Site
66%