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topic_facet:"Ligands"
topic_facet:"molecular docking"
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PubPharm (10)
1
DFT, Molecular Docking, Bioactivity and ADME Analyses of Vic-dioxim Ligand Containing Hydrazone Group and its Zn(II) Complex
enthalten in:
Current computer-aided drug design
| 2024
von
Gökçe Çalişkan, .
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2
Identification of Potential Inhibitors of PDE5 based on Structure-based Virtual Screening Approaches
enthalten in:
Current computer-aided drug design
| 2023
von
Xu, L.
|
Sun, L.
|
Su, P.
| +4
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3
Revisiting the South Indian Traditional Plants against Several Targets of SARS-CoV-2 - An in silico Approach
enthalten in:
Current computer-aided drug design
| 2023
von
Jupudi, S.
|
Rajala, S.
|
Gaddam, N.
| +4
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4
Petra/Osiris/Molinspiration and Molecular Docking Analyses of 3-Hydroxy-Indolin-2-one Derivatives as Potential Antiviral Agents
enthalten in:
Current computer-aided drug design
| 2021
von
Hadda, T.
|
Rastija, V.
|
AlMalki, F.
| +6
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5
Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis Treatment
enthalten in:
Current computer-aided drug design
| 2020
von
Alazmi, M.
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6
In silico Molecular Modelling of Selected Natural Ligands and their Binding Features with Estrogen Receptor Alpha
enthalten in:
Current computer-aided drug design
| 2019
von
Maruthanila, V.
|
Elancheran, R.
|
Roy, N.
| +4
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7
Identification of Inhibitors for the Lutheran Blood Group Glycoprotein - Laminin 511/521 Interaction by Molecular Modelling and Simulation Techniques
enthalten in:
Current computer-aided drug design
| 2018
von
Madeleine, N.
|
Gardebien, F.
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8
Computational Study of Imidazolylporphyrin Derivatives as a Radiopharmaceutical Ligand for Melanoma
enthalten in:
Current computer-aided drug design
| 2018
von
Kurniawan, F.
|
Kartasasmita, R.
|
Yoshioka, N.
| +2
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9
Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1) : An Important Therapeutic Target in Alzheimer`s disease
enthalten in:
Current computer-aided drug design
| 2017
von
Silva-Junior, E.
|
Barcellos Franca, P.
|
Quintans-Junior, L.
| +5
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10
Insight Mechanism of the Selective Lanosterol Synthase Inhibitor : Molecular Modeling, Docking and Density Functional Theory Approaches
enthalten in:
Current computer-aided drug design
| 2017
von
Karunagaran, S.
|
Kavitha, R.
|
Vadivelu, M.
| +2
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1
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Thema: molecular docking
Medienart
10
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Zeitschriftentitel
10
Current computer-aided drug design
Thema
10
Journal Article
Ligands
molecular docking
2
EC 2.7.10.1
2
J41CSQ7QDS
2
Zinc
2
molecular dynamics simulation
2
natural compounds
2
virtual screening
1
1J05Z83K3M
1
3-Hydroxy-indolin-2-ones
1
3-hydroxyindolin-2-one
1
7440-15-5
1
7440-26-8
1
ADME
1
ADME analysis
1
Alzheimer`s disease
1
Amyloid Precursor Protein Secretases
1
Anti-HIV Agents
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2020-
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2010-2019
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