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topic_facet:"virtual screening"
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PubPharm (13)
1
Identification and characterization of novel RdRp and Nsp15 inhibitors for SARS-COV2 using computational approach
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Barage, S.
|
Karthic, A.
|
Bavi, R.
| +4
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2
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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3
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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4
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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5
Computational Approaches to Discover Novel Natural Compounds for SARS-CoV-2 Therapeutics
enthalten in:
ChemistryOpen
| 2021
von
Rampogu, S.
|
Lee, G.
|
Kulkarni, A.
| +4
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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
In Silico Study Identified Methotrexate Analog as Potential Inhibitor of Drug Resistant Human Dihydrofolate Reductase for Cancer Therapeutics
enthalten in:
Molecules (Basel, Switzerland)
| 2020
von
Rana, R.
|
Rampogu, S.
|
Abid, N.
| +7
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9
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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10
Novel virtual lead identification in the discovery of hematopoietic cell kinase (HCK) inhibitors : application of 3D QSAR and molecular dynamics simulation
enthalten in:
Journal of receptor and signal transduction research
| 2017
von
Bavi, R.
|
Kumar, R.
|
Rampogu, S.
| +4
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Thema: virtual screening
Medienart
13
Aufsätze
12
E-Artikel
12
E-Ressourcen
1
Gedruckte Aufsätze
Zeitschriftentitel
4
International journal of molecular sciences
2
Molecules (Basel, Switzerland)
1
Acta pharmacologica Sinica
1
ChemistryOpen
1
Current computer-aided drug design
1
Journal of biomolecular structure & dynamics
1
Journal of receptor and signal transduction res...
1
Marine drugs
1
Pharmaceuticals (Basel, Switzerland)
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Thema
virtual screening
12
Journal Article
12
molecular docking
6
Ligands
5
molecular dynamics simulations
4
pharmacophore modeling
3
Biological Products
3
Research Support, Non-U.S. Gov't
3
pharmacophore
2
Antiviral Agents
2
Enzyme Inhibitors
2
MM/PBSA
2
Protein Kinase Inhibitors
2
binding free energy
2
density function theory
2
marine natural products
2
molecular dynamics simulation
1
11-beta-Hydroxysteroid Dehydrogenase Type 1
1
11β-hydroxysteroid dehydrogenase
1
1J05Z83K3M
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Erscheinungszeitraum
8
2020-
5
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
13
Englisch
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