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topic_facet:"molecular dynamics simulation"
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PubPharm (15)
1
Design, Synthesis, Antitumor Activity Evaluation, and Molecular Dynamics Simulation of Some 2-Aminopyrazine Derivatives
enthalten in:
Current computer-aided drug design
| 2024
von
Cui, H.
|
Zhang, R.
|
Xiong, X.
| +5
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2
AI-based Virtual Screening of Traditional Chinese Medicine and the Discovery of Novel Inhibitors of TCTP
enthalten in:
Current computer-aided drug design
| 2024
von
Bai, J.
|
Ni, Y.
|
Zhang, Y.
| +6
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3
A Novel in silico SELEX Method to Screen and Identify Aptamers against Vibrio cholerae
enthalten in:
Current computer-aided drug design
| 2023
von
Rasouli Jazi, H.
|
Zeinoddini, M.
|
Arab, S.
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4
Exploring Potential Non-steroidal Aromatase Inhibitors for Therapeutic Application against Estrogen-dependent Breast Cancer
enthalten in:
Current computer-aided drug design
| 2023
von
Pandey, K.
|
Bharat Lokhande, K.
|
Saha, A.
| +3
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5
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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6
Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation Studies
enthalten in:
Current computer-aided drug design
| 2023
von
Modanwal, S.
|
Mulpuru, V.
|
Mishra, N.
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7
Computational Investigations of Coumarin Derivatives as Cyclindependent Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation
enthalten in:
Current computer-aided drug design
| 2022
von
Liu, S.
|
Li, Y.
|
Wei, X.
| +3
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8
Identification of Potential Inhibitors Against the TGF-β/BMPs-Activin Receptor- like Kinase 1 Signal Pathway
enthalten in:
Current computer-aided drug design
| 2021
von
Wu, M.
|
Liu, M.
|
Zhou, J.
| +3
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9
Anti-tumorigenic Efficacy of Tangeretin in Liver Cancer - An In Silico Approach
enthalten in:
Current computer-aided drug design
| 2021
von
P, S.
|
K, L.
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10
The Interaction of Isoflavone Phytoestrogens with ERα and ERβ by Molecular Docking and Molecular Dynamics Simulations
enthalten in:
Current computer-aided drug design
| 2021
von
Wang, T.
|
Liu, Y.
|
Zhuang, X.
| +2
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Thema: molecular dynamics simulation
Medienart
15
Aufsätze
15
E-Artikel
15
E-Ressourcen
Zeitschriftentitel
15
Current computer-aided drug design
Thema
15
Journal Article
molecular dynamics simulation
8
molecular docking
5
Ligands
3
docking
3
virtual screening
2
J41CSQ7QDS
2
Schistosomiasis
2
Zinc
2
pharmacophore
1
2-aminopyrazine
1
3D-QSAR
1
95M8R751W8
1
ADMET
1
AI drug design.
1
AI-based virtual screening
1
ALK1
1
Aldehyde Reductase
1
Aldo-Keto Reductase Family 1 member B10
1
Anti-Bacterial Agents
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Erscheinungszeitraum
12
2020-
3
2010-2019
Erscheinungsjahr(e)
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Sprache
15
Englisch
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