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journalStr:"Journal of biomolecular structure & dynamics"
topic_facet:"molecular dynamics"
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PubPharm (113)
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
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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4
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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5
Proposing lead compounds for the development of SARS-CoV-2 receptor-binding inhibitors
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Awuni, E.
|
Abdallah Musah, R.
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6
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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7
Exploring binding mechanisms of omicron spike protein with dolutegravir and etravirine by molecular dynamics simulation, principal component analysis, and free binding energy calculations
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Elseginy, S.
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8
Targeting the omicron variant of SARS-CoV-2 with phytochemicals from Saudi medicinal plants : molecular docking combined with molecular dynamics investigations
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Eltaib, L.
|
Alzain, A.
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9
Molecular dynamic simulation reveals spider antimicrobial peptide Latarcin-1 and human eosinophil cationic protein as peptide inhibitors of SARS-CoV-2 variants
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Cao, C.
|
Mehmood, A.
|
Li, D.
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10
Unraveling bioactive metabolites of mangroves as putative inhibitors of SARS-CoV-2 Mpro and RBD proteins : molecular dynamics and ADMET analysis
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Ramasubburayan, R.
|
Amperayani, K.
|
Varadhi, G.
| +4
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Zeitschrift: Journal of biomolecular structure & dynamics
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Thema: molecular dynamics
Medienart
113
Aufsätze
113
E-Artikel
113
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Zeitschriftentitel
Journal of biomolecular structure & dynamics
Thema
molecular dynamics
112
Journal Article
54
SARS-CoV-2
52
Protease Inhibitors
48
COVID-19
48
molecular docking
37
Research Support, Non-U.S. Gov't
34
Antiviral Agents
22
EC 3.4.-
22
Peptide Hydrolases
18
Coronavirus 3C Proteases
18
EC 3.4.22.-
18
EC 3.4.22.28
15
3C-like proteinase, SARS-CoV-2
15
docking
13
spike protein, SARS-CoV-2
13
virtual screening
12
Spike Glycoprotein, Coronavirus
12
main protease
11
ADMET
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Erscheinungszeitraum
6
2024
36
2023
49
2022
21
2021
1
2020
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