Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking
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Title
Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking
Authors
Keywords
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Journal
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
Volume 22, Issue 4, Pages 1573
Publisher
MDPI AG
Online
2021-02-05
DOI
10.3390/ijms22041573
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Note: Only part of the references are listed.- Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2
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- (2020) Leon Caly et al. ANTIVIRAL RESEARCH
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- Discovery of SARS-CoV-2 antiviral drugs through large-scale compound repurposing
- (2020) Laura Riva et al. NATURE
- Are sex discordant outcomes in COVID-19 related to sex hormones?
- (2020) Jonathan D. Strope et al. SEMINARS IN ONCOLOGY
- Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in silico Structure-Based Virtual Screening Approach
- (2020) Shweta Choudhary et al. Frontiers in Immunology
- An Insight into the Sex Differences in COVID-19 Patients: What are the Possible Causes?
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- Emerging role of artificial intelligence in therapeutics for COVID-19: a systematic review
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- The flexibility of ACE2 in the context of SARS-CoV-2 infection
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- (2019) Felix Seyfried et al. Cell Death & Disease
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- Protein–Ligand Scoring with Convolutional Neural Networks
- (2017) Matthew Ragoza et al. Journal of Chemical Information and Modeling
- Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion
- (2017) Alexandra C. Walls et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity
- (2017) Alan C. Pilon et al. Scientific Reports
- BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
- (2015) Michael K. Gilson et al. NUCLEIC ACIDS RESEARCH
- SANCDB: a South African natural compound database
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- Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
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