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journalStr:"Journal of biomolecular structure & dynamics"
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PubPharm (15)
1
Discovery of novel PARP-1 inhibitors using tandem in silico studies : integrated docking, e-pharmacophore, deep learning based de novo and molecular dynamics simulation approach
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Bhatnagar, A.
|
Nath, V.
|
Kumar, N.
| +1
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2
Computer-aided drug discovery of c-Abl kinase inhibitors from plant compounds against chronic myeloid leukemia
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Alshehri, M.
|
Kumar, N.
|
Kuthi, N.
| +8
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3
Development of new benzil-hydrazone derivatives as anticholinesterase inhibitors : synthesis, X-ray analysis, DFT study and in vitro/in silico evaluation
enthalten in:
Journal of biomolecular structure & dynamics
| 2024
von
Tabbiche, A.
|
Bouchama, A.
|
Fadli, K.
| +9
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4
Identification of potential inhibitors against Escherichia coli Mur D enzyme to combat rising drug resistance : an in-silico approach
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Gaur, V.
|
Kumar, N.
|
Vyas, A.
| +3
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5
Network pharmacology, molecular docking-driven, Qbd-Engineered antifungal in-situ gel loaded with voriconazole nanostructured lipid carriers
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Tiwari, A.
|
Tiwari, V.
|
Palaria, B.
| +3
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6
In silico analysis of Diosmetin as an effective chemopreventive agent against prostate cancer : molecular docking, validation, dynamic simulation and pharmacokinetic prediction-based studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Sheoran, S.
|
Arora, S.
|
Basu, T.
| +8
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7
An integrative computational approach for the identification of dual inhibitors of isocitrate dehydrogenase 1 and 2 from phytocompounds of Phyllantus amarus
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Bello, R.
|
Okunlola, S.
|
Kumar, N.
| +5
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8
In-silico studies on Myo inositol-1-phosphate synthase of Leishmania donovani in search of anti-leishmaniasis
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Sinha, M.
|
Jagadeesan, R.
|
Kumar, N.
| +3
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9
Antitussive noscapine and antiviral drug conjugates as arsenal against COVID-19 : a comprehensive chemoinformatics analysis
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Kumar, N.
|
Awasthi, A.
|
Kumari, A.
| +6
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10
Computational investigation of potential inhibitors of novel coronavirus 2019 through structure-based virtual screening, molecular dynamics and density functional theory studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2021
von
Mishra, S.
|
Ranjan, S.
|
Sharma, C.
| +3
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Zeitschrift: Journal of biomolecular structure & dynamics
Medienart
15
Aufsätze
15
E-Artikel
15
E-Ressourcen
Zeitschriftentitel
Journal of biomolecular structure & dynamics
Thema
15
Journal Article
7
molecular docking
3
virtual screening
2
9015-71-8
2
ADME
2
Antineoplastic Agents
2
Corticotropin-Releasing Hormone
2
Curcumin
2
DFT
2
IT942ZTH98
2
Knoevenagel condensates
2
Ligands
2
QSAR
2
anticancer
2
apoptosis
2
docking
2
molecular dynamics
1
3QD5KJZ7ZJ
1
4L6452S749
1
5CLY6W2H1M
Alle anzeigen ...
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Erscheinungszeitraum
12
2020-
3
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
15
Englisch
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