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journalStr:"Journal of biomolecular structure & dynamics"
topic_facet:"molecular docking"
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PubPharm (191)
1
Insight into crystal structures and identification of potential styrylthieno[2,3-b]pyridine-2-carboxamidederivatives against COVID-19 Mpro through structure-guided modeling and simulation approach
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
El Bakri, Y.
|
Ahmad, B.
|
Saravanan, K.
| +8
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2
Searching possible SARS-CoV-2 main protease inhibitors in constituents from herbal medicines using in silico studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Rasul, H.
|
Thomas, N.
|
Ghafour, D.
| +4
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3
Investigating the antiviral therapeutic potentialities of marine polycyclic lamellarin pyrrole alkaloids as promising inhibitors for SARS-CoV-2 and Zika main proteases (Mpro)
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Pereira, F.
|
Bedda, L.
|
Tammam, M.
| +3
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4
Prediction of deleterious non-synonymous SNPs of TMPRSS2 protein combined with Molecular Dynamics Simulations and free energy analysis to identify the potential peptide substrates against SARS-CoV-2
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Ramachandran, B.
|
Nadeem, A.
|
Mohanprasanth, A.
| +1
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5
In silico identification and validation of phenolic lipids as potential inhibitor against bacterial and viral strains
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Khatana, K.
|
Gupta, A.
|
Ghosal, A.
| +4
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6
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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7
Novel pyrimidines as COX-2 selective inhibitors : synthesis, DFT analysis, molecular docking and dynamic simulation studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Mathada, B.
|
Basha, N.
|
Javeed, M.
| +4
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8
Effectiveness of estrogen and its derivatives over dexamethasone in the treatment of COVID-19
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Parveen, D.
|
Das, A.
|
Amin, S.
| +8
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9
Integrated molecular and quantum mechanical approach to identify novel potent natural bioactive compound against 2'-O-methyltransferase (nsp16) of SARS-CoV-2
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Thomas, J.
|
Kumar, S.
|
Satija, J.
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10
In-silico guided design, screening, and molecular dynamic simulation studies for the identification of potential SARS-CoV-2 main protease inhibitors for the targeted treatment of COVID-19
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Gutti, G.
|
He, Y.
|
Coldren, W.
| +5
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Zeitschrift: Journal of biomolecular structure & dynamics
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Thema: molecular docking
Medienart
191
Aufsätze
191
E-Artikel
191
E-Ressourcen
Zeitschriftentitel
Journal of biomolecular structure & dynamics
Thema
191
Journal Article
molecular docking
94
Protease Inhibitors
91
SARS-CoV-2
78
COVID-19
70
Antiviral Agents
67
Research Support, Non-U.S. Gov't
48
molecular dynamics
37
EC 3.4.-
36
Peptide Hydrolases
30
molecular dynamics simulation
28
EC 3.4.22.-
23
Coronavirus 3C Proteases
23
EC 3.4.22.28
21
Spike Glycoprotein, Coronavirus
20
main protease
20
spike protein, SARS-CoV-2
19
3C-like proteinase, SARS-CoV-2
19
MD simulation
15
Phytochemicals
Alle anzeigen ...
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Erscheinungszeitraum
190
2020-
1
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
191
Englisch
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