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topic_facet:"virtual screening"
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PubPharm (28)
1
Drug repurposing for targeting fibronectin in treatment of endometriosis and cancers
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Mahdian, S.
|
Moini, A.
|
Esfandiari, F.
| +1
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2
Repurposing FDA-approved drugs as HIV-1 integrase inhibitors : an in silico investigation
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Ha, C.
|
Lee, N.
|
Rahman, T.
| +3
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3
Virtual Screening and Quantum Chemistry Analysis for SARS-CoV-2 RNA-Dependent RNA Polymerase Using the ChEMBL Database : Reproduction of the Remdesivir-RTP and Favipiravir-RTP Binding Modes Obtained from Cryo-EM Experiments with High Binding Affinity
enthalten in:
International journal of molecular sciences
| 2022
von
Tsuji, M.
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4
Screening of antibacterial compounds with novel structure from the FDA approved drugs using machine learning methods
enthalten in:
Aging
| 2022
von
Li, W.
|
Tong, X.
|
Yang, P.
| +6
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5
Computationally prioritized drugs inhibit SARS-CoV-2 infection and syncytia formation
enthalten in:
Briefings in bioinformatics
| 2022
von
Serra, A.
|
Fratello, M.
|
Federico, A.
| +16
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6
Virtual Screening and Quantum Chemistry Analysis for SARS-CoV-2 RNA-Dependent RNA Polymerase Using the ChEMBL Database: Reproduction of the Remdesivir-RTP and Favipiravir-RTP Binding Modes Obtained from Cryo-EM Experiments with High Binding Affinity
in:
International Journal of Molecular Sciences
| 2022
von
Motonori Tsuji
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7
Can drug repurposing strategies be the solution to the COVID-19 crisis?
enthalten in:
Expert opinion on drug discovery
| 2021
von
Bellera, C.
|
Llanos, M.
|
Gantner, M.
| +4
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8
Virtual Screening of FDA-Approved Drugs against Triose Phosphate Isomerase from Entamoeba histolytica and Giardia lamblia Identifies Inhibitors of Their Trophozoite Growth Phase
enthalten in:
International journal of molecular sciences
| 2021
von
Juárez-Saldivar, A.
|
Barbosa-Cabrera, E.
|
Lara-Ramírez, E.
| +6
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9
Multiscale Virtual Screening Optimization for Shotgun Drug Repurposing Using the CANDO Platform
enthalten in:
Molecules (Basel, Switzerland)
| 2021
von
Hudson, M.
|
Samudrala, R.
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10
Known Drugs Identified by Structure-Based Virtual Screening Are Able to Bind Sigma-1 Receptor and Increase Growth of Huntington Disease Patient-Derived Cells
enthalten in:
International journal of molecular sciences
| 2021
von
Battista, T.
|
Pascarella, G.
|
Staid, D.
| +12
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Thema: virtual screening
Medienart
28
Aufsätze
27
E-Artikel
27
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1
Gedruckte Aufsätze
Zeitschriftentitel
3
International Journal of Molecular Sciences
3
International journal of molecular sciences
3
Journal of computer aided molecular design
2
Frontiers in chemistry
2
Journal of biomolecular structure & dynamics
1
Aging
1
Biophysics and Physicobiology
1
Biophysics and physicobiology
1
Briefings in bioinformatics
1
Expert opinion on drug discovery
1
FEBS Open Bio
1
FEBS open bio
1
Frontiers in Chemistry
1
Frontiers in cellular and infection microbiology
1
Journal of cancer research and therapeutics
1
Molecular informatics
1
Molecules (Basel, Switzerland)
1
Molecules and cells
1
Pharmaceuticals
1
Pharmaceuticals (Basel, Switzerland)
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Thema
virtual screening
24
drug repositioning
18
Journal Article
6
Research Support, Non-U.S. Gov't
5
Biology (General)
5
COVID-19
4
Chagas disease
4
Chemistry
4
Drug repositioning
4
SARS-CoV-2
4
machine learning
4
molecular docking
3
Antiviral Agents
3
Paroxetine
3
Polyamines
3
Triclabendazole
3
drug repurposing
2
2019 novel coronavirus
2
3QKI37EEHE
2
415SHH325A
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Erscheinungszeitraum
20
2020-
8
2010-2019
Erscheinungsjahr(e)
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Sprache
28
Englisch
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