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journalStr:"Journal of molecular graphics & modelling"
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PubPharm (9)
1
In silico investigation of Komaroviquinone as a potential inhibitor of SARS-CoV-2 main protease (Mpro) : Molecular docking, molecular dynamics, and QM/MM approaches
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Santos, S.
|
Valentini, A.
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2
Molecular modelling identification of phytocompounds from selected African botanicals as promising therapeutics against druggable human host cell targets of SARS-CoV-2
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Uhomoibhi, J.
|
Shode, F.
|
Idowu, K.
| +1
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3
Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Macchiagodena, M.
|
Pagliai, M.
|
Procacci, P.
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4
Small molecule interactions with the SARS-CoV-2 main protease : In silico all-atom microsecond MD simulations, PELE Monte Carlo simulations, and determination of in vitro activity inhibition
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Liang, J.
|
Pitsillou, E.
|
Ververis, K.
| +3
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5
Interaction of small molecules with the SARS-CoV-2 papain-like protease : In silico studies and in vitro validation of protease activity inhibition using an enzymatic inhibition assay
enthalten in:
Journal of molecular graphics & modelling
| 2021
von
Pitsillou, E.
|
Liang, J.
|
Ververis, K.
| +2
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6
Effect of nelfinavir stereoisomers on coronavirus main protease : Molecular docking, molecular dynamics simulation and MM/GBSA study
enthalten in:
Journal of molecular graphics & modelling
| 2021
von
Sargolzaei, M.
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7
Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin : An in-silico drug discovery approach
enthalten in:
Journal of molecular graphics & modelling
| 2020
von
Achilonu, I.
|
Iwuchukwu, E.
|
Achilonu, O.
| +2
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8
An in-silico evaluation of COVID-19 main protease with clinically approved drugs
enthalten in:
Journal of molecular graphics & modelling
| 2020
von
Tachoua, W.
|
Kabrine, M.
|
Mushtaq, M.
| +1
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9
Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins : A structural-relationship activity study with 10 anthocyanins using in-silico approaches
enthalten in:
Journal of molecular graphics & modelling
| 2020
von
Khalifa, I.
|
Nawaz, A.
|
Sobhy, R.
| +2
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1
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Zeitschrift: Journal of molecular graphics & modelling
Medienart
9
Aufsätze
9
E-Artikel
9
E-Ressourcen
Zeitschriftentitel
Journal of molecular graphics & modelling
Thema
9
Antiviral Agents
9
Journal Article
7
COVID-19
7
Coronavirus 3C Proteases
7
EC 3.4.22.-
7
EC 3.4.22.28
7
Protease Inhibitors
5
SARS-CoV-2
4
3C-like proteinase, SARS-CoV-2
3
Coronavirus
3
Cysteine Endopeptidases
3
Molecular docking
3
Nitriles
3
Research Support, Non-U.S. Gov't
3
Viral Nonstructural Proteins
2
Anthocyanins
2
GMW67QNF9C
2
Hypericin
2
Lactams
2
Leucine
Alle anzeigen ...
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Erscheinungszeitraum
1
2024
3
2022
2
2021
3
2020
Erscheinungsjahr(e)
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Sprache
9
Englisch
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