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publishDate:"[2020 TO 2029]"
topic_facet:"molecular docking"
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PubPharm (121)
1
Identification of Ureidocoumarin-Based Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors via Drug Repurposing Approach, Biological Evaluation, and In Silico Studies
enthalten in:
Pharmaceuticals (Basel, Switzerland)
| 2024
von
El-Damasy, A.
|
Kim, H.
|
Al-Karmalawy, A.
| +4
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2
Tepotinib and tivantinib as potential inhibitors for the serine/threonine kinase of the mpox virus : insights from structural bioinformatics analysis
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Abduljalil, J.
|
Elfiky, A.
|
AlKhazindar, M.
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3
Fourteen immunomodulatory alkaloids and two prenylated phenylpropanoids with dual therapeutic approach for COVID-19 : molecular docking and dynamics studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Omar, R.
|
Abd El-Salam, M.
|
Elsbaey, M.
| +1
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4
Computational insights into KRAS G12C inhibition : exploring possible repurposing of Azacitidine and Ribavirin
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Sharma, V.
|
Kumar, A.
|
Rawat, R.
| +7
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5
Mechanistic QSAR modeling derived virtual screening, drug repurposing, ADMET and in-vitro evaluation to identify anticancer lead as lysine-specific demethylase 5a inhibitor
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Jawarkar, R.
|
Zaki, M.
|
Al-Hussain, S.
| +8
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6
Identification of CYFIP2 Arg87Cys Ligands via In Silico and In Vitro Approaches
enthalten in:
Biomedicines
| 2024
von
Venturi Biembengut, .
|
de Castro Andreassa, E.
|
de Souza, T.
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7
In silico drug repurposing by combining machine learning classification model and molecular dynamics to identify a potential OGT inhibitor
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Azevedo, P.
|
Peçanha, B.
|
Flores-Junior, L.
| +4
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8
Identification and characterization of domain-specific inhibitors of DENV NS3 and NS5 proteins by in silico screening methods
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Samuel, J.
|
Ghosh, S.
|
Thiyagarajan, S.
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9
Aspirin as a potential drug repurposing candidate targeting estrogen receptor alpha in breast cancer : a molecular dynamics and in-vitro study
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Kaur, D.
|
Choudhury, C.
|
Yadav, R.
| +2
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10
In Silico Therapeutic Study: The Next Frontier in the Fight against SARS-CoV-2 and Its Variants
in:
Drugs and Drug Candidates
| 2024
von
Calvin R. Wei
|
Zarrin Basharat
|
Godwin C. Lang’at
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Erscheinungsjahr: 2020-2029
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Thema: molecular docking
Medienart
121
Aufsätze
121
E-Artikel
121
E-Ressourcen
Zeitschriftentitel
29
Journal of biomolecular structure & dynamics
6
International journal of molecular sciences
5
Pharmaceuticals (Basel, Switzerland)
4
Molecules (Basel, Switzerland)
4
Viruses
3
F1000Research
3
Frontiers in Chemistry
3
Frontiers in chemistry
3
Frontiers in pharmacology
3
Molecules
2
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Biomedicines
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2
Frontiers in microbiology
2
Frontiers in molecular biosciences
2
Future medicinal chemistry
2
International Journal of Molecular Sciences
2
Microorganisms
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Thema
molecular docking
111
drug repurposing
84
Journal Article
28
COVID-19
28
SARS-CoV-2
22
molecular dynamics
19
Antiviral Agents
19
Research Support, Non-U.S. Gov't
13
virtual screening
9
Protease Inhibitors
8
Biology (General)
8
molecular dynamics simulation
7
Chemistry
6
MD simulation
6
Review
5
Drug repurposing
5
Medicine
5
R
5
spike protein, SARS-CoV-2
4
Angiotensin-Converting Enzyme 2
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Erscheinungszeitraum
2020-
11
2024
27
2023
39
2022
32
2021
12
2020
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