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topic_facet:"molecular docking"
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PubPharm (30)
1
Drug Repositioning via Graph Neural Networks : Identifying Novel JAK2 Inhibitors from FDA-Approved Drugs through Molecular Docking and Biological Validation
enthalten in:
Molecules (Basel, Switzerland)
| 2024
von
Yasir, M.
|
Park, J.
|
Han, E.
| +3
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2
Cetirizine and Levetiracetam as Inhibitors of Monoacylglycerol Lipase : Investigating Their Repurposing Potential as Novel Osteoarthritic Pain Therapies
enthalten in:
Pharmaceuticals (Basel, Switzerland)
| 2023
von
Andrei, C.
|
Mihai, D.
|
Nitulescu, G.
| +6
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3
β-Secretase-1 : In Silico Drug Reposition for Alzheimer's Disease
enthalten in:
International journal of molecular sciences
| 2023
von
Galeana-Ascencio, R.
|
Mendieta, L.
|
Limon, D.
| +4
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4
in:
International Journal of Molecular Sciences
| 2023
von
Roberto A. Galeana-Ascencio
|
Liliana Mendieta
|
Daniel I. Limon
| +4
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5
In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy : Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations
enthalten in:
Molecules (Basel, Switzerland)
| 2022
von
Qayed, W.
|
Ferreira, R.
|
Silva, J.
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6
Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site
enthalten in:
Pharmaceutics
| 2022
von
Suriya, U.
|
Mahalapbutr, P.
|
Rungrotmongkol, T.
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7
Drug repositioning for SARS-CoV-2 by Gaussian kernel similarity bilinear matrix factorization
enthalten in:
Frontiers in microbiology
| 2022
von
Wang, Y.
|
Xiang, J.
|
Liu, C.
| +6
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8
In Silico Study towards Repositioning of FDA-Approved Drug Candidates for Anticoronaviral Therapy: Molecular Docking, Molecular Dynamics and Binding Free Energy Calculations
in:
Molecules
| 2022
von
Wesam S. Qayed
|
Rafaela S. Ferreira
|
José Rogério A. Silva
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9
Identification of Novel Drugs Targeting Cell Cycle Regulators for the Treatment of High-Grade Serous Ovarian Cancer via Integrated Bioinformatics Analysis
in:
Symmetry
| 2022
von
Yuanchun Zhao
|
Jiachen Zuo
|
Yiming Shen
| +3
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10
Integration of In Silico Strategies for Drug Repositioning towards P38α Mitogen-Activated Protein Kinase (MAPK) at the Allosteric Site
in:
Pharmaceutics
| 2022
von
Utid Suriya
|
Panupong Mahalapbutr
|
Thanyada Rungrotmongkol
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Thema: molecular docking
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30
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Molecules (Basel, Switzerland)
2
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Thema
molecular docking
27
drug repositioning
18
Journal Article
4
Biology (General)
4
drug repurposing
4
virtual screening
3
Antiviral Agents
2
ADME
2
Alzheimer's disease
2
Alzheimer’s disease
2
Chemistry
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EC 2.7.7.48
2
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GPCR
2
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L3JE09KZ2F
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MD simulation
2
NUDT5
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RNA-Dependent RNA Polymerase
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Erscheinungszeitraum
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2020-
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2010-2019
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