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/vufind/Search/Results?lookfor=%22molecular+docking%22&type=Subject&filter%5B%5D=topic_facet%3A%22Research+Support%2C+Non-U.S.+Gov%27t%22
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PubPharm (3.603)
1
Biomarker triterpenoids of Centella asiatica as potential antidepressant agents : Combining in vivo and in silico studies
enthalten in:
Behavioural brain research
| 2024
von
Mando, Z.
|
Mando, H.
|
Afzan, A.
| +4
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2
Effects of anthocyanidins on the conformational transition of Aβ(1-42) peptide : Insights from molecular docking and molecular dynamics simulations
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Zakaria, N.
|
Wan Harun, W.
|
Mohammad Latif, M.
| +3
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3
Uncovering PPAR-γ agonists : An integrated computational approach driven by machine learning
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Haider, S.
|
Shafiq, M.
|
Siddiqui, A.
| +6
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4
High-throughput virtual search of small molecules for controlling the mechanical stability of human CD4
enthalten in:
The Journal of biological chemistry
| 2024
von
Reifs, A.
|
Fernandez-Calvo, A.
|
Alonso-Lerma, B.
| +10
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5
Production of kojic acid by Aspergillus flavus OL314748 using box-Behnken statistical design and its antibacterial and anticancer applications using molecular docking technique
enthalten in:
BMC microbiology
| 2024
von
Mahmoud, G.
|
Abdel Shakor, A.
|
Kamal-Eldin, N.
| +1
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6
Mechanism for improving the in vitro digestive properties of coconut milk by modifying the structure and properties of coconut proteins with monosodium glutamate
enthalten in:
Food research international (Ottawa, Ont.)
| 2024
von
Wu, J.
|
Tang, Y.
|
Zhang, M.
| +6
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7
Design, synthesis, and evaluation of novel arecoline-linked amino acid derivatives for insecticidal and antifungal activities
enthalten in:
Scientific reports
| 2024
von
Pang, C.
|
Xu, Y.
|
Ma, X.
| +5
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8
Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitors
enthalten in:
Journal of molecular graphics & modelling
| 2024
von
Tue-Ngeun, P.
|
Rakitikul, W.
|
Thinkumrob, N.
| +3
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9
The small molecule activator S3969 stimulates the epithelial sodium channel by interacting with a specific binding pocket in the channel's β-subunit
enthalten in:
The Journal of biological chemistry
| 2024
von
Sure, F.
|
Einsiedel, J.
|
Gmeiner, P.
| +4
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10
Potential therapeutic targets for COVID-19 complicated with pulmonary hypertension : a bioinformatics and early validation study
enthalten in:
Scientific reports
| 2024
von
Hou, Q.
|
Jiang, J.
|
Na, K.
| +5
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Thema: Research Support, Non-U.S. Gov't
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Bioorganic chemistry
296
Journal of biomolecular structure & dynamics
209
Bioorganic & medicinal chemistry
201
Bioorganic & medicinal chemistry letters
152
Journal of molecular graphics & modelling
88
Chemical biology & drug design
81
European journal of medicinal chemistry
66
Biomolecules
63
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55
The Journal of biological chemistry
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Future medicinal chemistry
48
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Journal of molecular recognition : JMR
47
ChemMedChem
45
Anti-cancer agents in medicinal chemistry
42
Journal of food biochemistry
42
Spectrochimica acta. Part A, Molecular and biom...
41
Journal of computer-aided molecular design
40
Food research international (Ottawa, Ont.)
38
Journal of cellular biochemistry
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Research Support, Non-U.S. Gov't
3.594
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1.947
Molecular docking
1.372
molecular docking
459
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391
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156
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142
molecular dynamics
141
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9007-49-2
123
Acetylcholinesterase
121
EC 3.1.1.7
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Cholinesterase Inhibitors
116
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116
Molecular dynamics
109
EC 2.7.10.1
103
Research Support, N.I.H., Extramural
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2020-
1.683
2010-2019
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