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topic_facet:"molecular docking"
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PubPharm (9)
1
Mutational analyses, pharmacophore-based inhibitor design and in silico validation for Zika virus NS3-helicase
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Durgam, L.
|
Pagag, J.
|
Indra Neela, Y.
| +1
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2
Computational studies on the design of NCI natural products as inhibitors to SARS-CoV-2 main protease
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Durgam, L.
|
Guruprasad, L.
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3
Molecular mechanism of ATP and RNA binding to Zika virus NS3 helicase and identification of repurposed drugs using molecular dynamics simulations
enthalten in:
Journal of biomolecular structure & dynamics
| 2022
von
Durgam, L.
|
Guruprasad, L.
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4
Identification of 3D motifs based on sequences and structures for binding to CFI-400945, and deep screening-based design of new lead molecules for PLK-4
enthalten in:
Chemical biology & drug design
| 2021
von
Abdullah, M.
|
Guruprasad, L.
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5
Homology modeling, docking and structure-based virtual screening for new inhibitor identification of Klebsiella pneumoniae heptosyltransferase-III
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Panda, S.
|
Saxena, S.
|
Guruprasad, L.
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6
Structural insights into the inhibitor binding and new inhibitor design to Polo-like kinase-1 Polo-box domain using computational studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2019
von
Abdullah, M.
|
Guruprasad, L.
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7
Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH)
enthalten in:
Journal of biomolecular structure & dynamics
| 2019
von
Saxena, S.
|
Durgam, L.
|
Guruprasad, L.
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8
In silico 3D structure modeling and inhibitor binding studies of human male germ cell-associated kinase
enthalten in:
Journal of biomolecular structure & dynamics
| 2015
von
Tanneeru, K.
|
Balla, A.
|
Guruprasad, L.
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9
In silico 3D structure modeling and inhibitor binding studies of human male germ cell-associated kinase
enthalten in:
Journal of biomolecular structure & dynamics
| 2015
von
Tanneeru, K.
|
Balla, A.
|
Guruprasad, L.
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1
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Thema: molecular docking
Medienart
9
Aufsätze
8
E-Artikel
8
E-Ressourcen
1
Gedruckte Aufsätze
Zeitschriftentitel
8
Journal of biomolecular structure & dynamics
1
Chemical biology & drug design
Thema
molecular docking
8
Journal Article
4
molecular dynamics simulations
3
Protein Kinase Inhibitors
3
pharmacophore
2
EC 2.7.1.-
2
EC 2.7.11.1
2
Ligands
2
Protein Serine-Threonine Kinases
2
Research Support, Non-U.S. Gov't
2
Small Molecule Libraries
2
binding free energies
2
human male germ cell-associated kinase
2
mechanical stiffness
2
molecular dynamics
2
molecular dynamics simulation
2
normal mode analysis
2
principal component analysis
2
prostate cancer
2
protein structure modeling
Alle anzeigen ...
weniger ...
Erscheinungszeitraum
5
2020-
4
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
9
Englisch
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