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/vufind/Search/Results?lookfor=%22Molecular+Docking+Simulation%22&type=Subject&filter%5B%5D=NOT+title%3Asystemat+review
/vufind/Search/Results?lookfor=%22Molecular+Docking+Simulation%22&type=Subject&filter%5B%5D=NOT+title%3Asystemat+review
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PubPharm (465)
1
Rheum palmatum L. and Salvia miltiorrhiza Bge. Alleviates Acute Pancreatitis by Regulating Th17 Cell Differentiation : An Integrated Network Pharmacology Analysis, Molecular Dynamics Simulation and Experimental Validation
enthalten in:
Chinese journal of integrative medicine
| 2024
von
Feng, M.
|
Luo, F.
|
Huang, L.
| +6
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2
Exploring Ribosomal Genes as Potential Biomarkers of the Immune Microenvironment in Respiratory Syncytial Virus Infection
enthalten in:
Biochemical genetics
| 2024
von
Lin, L.
|
Liao, Z.
|
Li, C.
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3
Improved synthesis, molecular modeling and anti-inflammatory activity of new fluorinated dihydrofurano-naphthoquinone compounds
enthalten in:
Bioorganic & medicinal chemistry letters
| 2024
von
Nguyen, H.
|
Pham-The, H.
|
Tuan, A.
| +6
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4
Anti-Staphylococcus aureus potential of compounds from Ganoderma sp. : A comprehensive molecular docking and simulation approaches
enthalten in:
Heliyon
| 2024
von
Nguyen, T.
|
Nguyen, T.
|
Nguyen, H.
| +7
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5
All-atoms molecular dynamics study to screen potent efflux pump inhibitors against KpnE protein of Klebsiella pneumoniae
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Dey, S.
|
Rout, M.
|
Pati, S.
| +3
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6
Unlocking bacterial defense : Exploring the potent inhibition of NorA efflux pump by coumarin derivatives in Staphylococcus aureus
enthalten in:
Microbial pathogenesis
| 2024
von
Martin, A.
|
Pereira, R.
|
Rocha, J.
| +13
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7
Analgesic and anti-inflammatory effects of galangin : a potential pathway to inhibit transient receptor potential vanilloid 1 receptor activation
enthalten in:
The Korean journal of pain
| 2024
von
Lin, K.
|
Fu, D.
|
Wang, Z.
| +2
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8
Exploring bi-carbazole-linked triazoles as inhibitors of prolyl endo peptidase via integrated in vitro and in silico study
enthalten in:
Scientific reports
| 2024
von
Ullah, S.
|
Mansoor, F.
|
Khan, S.
| +5
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9
Ligand based-design of potential schistosomiasis inhibitors through QSAR, homology modeling, molecular dynamics, pharmacokinetics, and DFT studies
enthalten in:
Journal of Taibah University Medical Sciences
| 2024
von
Ja'afaru, S.
|
Uzairu, A.
|
Chandra, A.
| +4
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10
New amide and diterpene alkaloids with anticholinesterase activity from Delphinium cyphoplectrum roots
enthalten in:
Daru : journal of Faculty of Pharmacy, Tehran University of Medical Sciences
| 2024
von
Salehi, A.
|
Zolfaghari, B.
|
Aghaei, M.
| +5
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Journal of biomolecular structure & dynamics
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molecular docking simulation
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molecular docking simulations
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virtual screening
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molecular dynamics simulation
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