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journalStr:"Molecular diversity"
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PubPharm (11)
1
A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study
enthalten in:
Molecular diversity
| 2022
von
Novak, J.
|
Potemkin, V.
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2
Computational investigation of drug bank compounds against 3C-like protease (3CLpro) of SARS-CoV-2 using deep learning and molecular dynamics simulation
enthalten in:
Molecular diversity
| 2022
von
Joshi, T.
|
Sharma, P.
|
Mathpal, S.
| +5
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3
New insights into the catalytic mechanism of the SARS-CoV-2 main protease : an ONIOM QM/MM approach
enthalten in:
Molecular diversity
| 2022
von
Fernandes, H.
|
Sousa, S.
|
Cerqueira, N.
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4
Structure-based virtual screening, in silico docking, ADME properties prediction and molecular dynamics studies for the identification of potential inhibitors against SARS-CoV-2 Mpro
enthalten in:
Molecular diversity
| 2022
von
Mohan, A.
|
Rendine, N.
|
Mohammed, M.
| +3
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5
Exploring naphthyl derivatives as SARS-CoV papain-like protease (PLpro) inhibitors and its implications in COVID-19 drug discovery
enthalten in:
Molecular diversity
| 2022
von
Amin, S.
|
Ghosh, K.
|
Singh, S.
| +3
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6
Structure-based screening of novel lichen compounds against SARS Coronavirus main protease (Mpro) as potentials inhibitors of COVID-19
enthalten in:
Molecular diversity
| 2021
von
Joshi, T.
|
Sharma, P.
|
Joshi, T.
| +3
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7
Using Chou's 5-steps rule to study pharmacophore-based virtual screening of SARS-CoV-2 Mpro inhibitors
enthalten in:
Molecular diversity
| 2021
von
Pundir, H.
|
Joshi, T.
|
Joshi, T.
| +4
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8
Identification of potential plant-based inhibitor against viral proteases of SARS-CoV-2 through molecular docking, MM-PBSA binding energy calculations and molecular dynamics simulation
enthalten in:
Molecular diversity
| 2021
von
Gogoi, B.
|
Chowdhury, P.
|
Goswami, N.
| +8
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9
Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease
enthalten in:
Molecular diversity
| 2021
von
Gogoi, N.
|
Chowdhury, P.
|
Goswami, A.
| +3
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10
Synthesis of 3,3'-methylenebis(4-hydroxyquinolin-2(1H)-ones) of prospective anti-COVID-19 drugs
enthalten in:
Molecular diversity
| 2021
von
Aly, A.
|
Hassan, A.
|
Mohamed, A.
| +5
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Zeitschrift: Molecular diversity
Medienart
11
Aufsätze
11
E-Artikel
11
E-Ressourcen
Zeitschriftentitel
Molecular diversity
Thema
11
Journal Article
11
Protease Inhibitors
10
COVID-19
10
Coronavirus 3C Proteases
10
EC 3.4.22.28
8
Antiviral Agents
5
Molecular docking
4
Main protease
4
SARS-CoV-2
3
Ligands
3
Viral Nonstructural Proteins
2
3CLpro
2
Cysteine Endopeptidases
2
Drug repurposing
2
EC 3.4.22.-
2
EC 3.4.22.2
2
Molecular dynamics simulation
2
QSAR
2
Virtual screening
1
2494G1JF75
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Erscheinungszeitraum
5
2022
6
2021
Erscheinungsjahr(e)
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Sprache
11
Englisch
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