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topic_facet:"molecular dynamics simulations"
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/vufind/Search/Results?lookfor=%22Lee%2C+Keun+Woo%22&type=Person&filter%5B%5D=topic_facet%3A%22molecular+dynamics+simulations%22
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PubPharm (9)
1
Identification of Activated Cdc42-Associated Kinase Inhibitors as Potential Anticancer Agents Using Pharmacoinformatic Approaches
enthalten in:
Biomolecules
| 2023
von
Kumar, V.
|
Kumar, R.
|
Parate, S.
| +7
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2
Computational Simulations Highlight the IL2Rα Binding Potential of Polyphenol Stilbenes from Fenugreek
enthalten in:
Molecules (Basel, Switzerland)
| 2022
von
Kulkarni, A.
|
Parate, S.
|
Lee, G.
| +4
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3
Identification of New KRAS G12D Inhibitors through Computer-Aided Drug Discovery Methods
enthalten in:
International journal of molecular sciences
| 2022
von
Kulkarni, A.
|
Kumar, V.
|
Parate, S.
| +3
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4
Investigation of Marine-Derived Natural Products as Raf Kinase Inhibitory Protein (RKIP)-Binding Ligands
enthalten in:
Marine drugs
| 2021
von
Parate, S.
|
Kumar, V.
|
Hong, J.
| +1
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5
Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics
enthalten in:
International journal of molecular sciences
| 2021
von
Parate, S.
|
Kumar, V.
|
Danishuddin
| +2
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6
Identification of Flavonoids as Putative ROS-1 Kinase Inhibitors Using Pharmacophore Modeling for NSCLC Therapeutics
enthalten in:
Molecules (Basel, Switzerland)
| 2021
von
Parate, S.
|
Kumar, V.
|
Hong, J.
| +1
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7
Marine-Derived Natural Products as ATP-Competitive mTOR Kinase Inhibitors for Cancer Therapeutics
enthalten in:
Pharmaceuticals (Basel, Switzerland)
| 2021
von
Parate, S.
|
Kumar, V.
|
Lee, G.
| +3
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8
SHP2 Nuclear/Cytoplasmic Trafficking in Granulosa Cells Is Essential for Oocyte Meiotic Resumption and Maturation
enthalten in:
Frontiers in cell and developmental biology
| 2020
von
Idrees, M.
|
Kumar, V.
|
Joo, M.
| +3
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9
Discovery of Non-Peptidic Compounds against Chagas Disease Applying Pharmacophore Guided Molecular Modelling Approaches
enthalten in:
Molecules (Basel, Switzerland)
| 2018
von
Rampogu, S.
|
Lee, G.
|
Baek, A.
| +6
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1
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Thema: molecular dynamics simulations
Medienart
9
Aufsätze
9
E-Artikel
9
E-Ressourcen
Zeitschriftentitel
3
Molecules (Basel, Switzerland)
2
International journal of molecular sciences
1
Biomolecules
1
Frontiers in cell and developmental biology
1
Marine drugs
1
Pharmaceuticals (Basel, Switzerland)
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Thema
9
Journal Article
molecular dynamics simulations
6
molecular docking
5
virtual screening
4
Ligands
3
Biological Products
3
binding free energy
3
pharmacophore modeling
2
EC 2.7.10.1
2
MM/PBSA
2
Protein-Tyrosine Kinases
2
marine natural products
1
ACK1
1
ADMET
1
ATP-competitive inhibitors
1
Antineoplastic Agents
1
COV434 cell line
1
Chagas disease
1
Cysteine Proteases
1
Cysteine Proteinase Inhibitors
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Erscheinungszeitraum
8
2020-
1
2010-2019
Erscheinungsjahr(e)
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Sprache
9
Englisch
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