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PubPharm (119)
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
Mutations in the receptor-binding domain of human SARS CoV-2 spike protein increases its affinity to bind human ACE-2 receptor
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Naresh, G.
|
Guruprasad, L.
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4
Dynamic conformational states of apo, ATP and cabozantinib bound TAM kinases to differentiate active-inactive kinetic models
enthalten in:
Journal of biomolecular structure & dynamics
| 2023
von
Naresh, G.
|
Guruprasad, L.
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5
Taking stock of the mutations in human SARS-CoV-2 spike proteins : From early days to nearly the end of COVID-19 pandemic
enthalten in:
Current research in structural biology
| 2023
von
Guruprasad, L.
|
Naresh, G.
|
Boggarapu, G.
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6
Docosahexaenoic acid is potent against the growth of mature stages of Plasmodium falciparum; inhibition of hematin polymerization a possible target
enthalten in:
Parasitology international
| 2022
von
Ommi, N.
|
Abdullah, M.
|
Guruprasad, L.
| +1
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7
Fragment-based inhibitor design for SARS-CoV2 main protease
enthalten in:
Structural chemistry
| 2022
von
Andola, P.
|
Pagag, J.
|
Laxman, D.
| +1
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8
Fragment-based inhibitor design for SARS-CoV2 main protease
enthalten in:
Structural chemistry
| 2022
von
Andola, P.
|
Pagag, J.
|
Laxman, D.
| +1
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9
Fragment-based inhibitor design for SARS-CoV2 main protease
enthalten in:
Structural chemistry
| 2022
von
Andola, P.
|
Pagag, J.
|
Laxman, D.
| +1
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10
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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Zeitschriftentitel
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Journal of biomolecular structure & dynamics
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Protein and peptide letters
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PloS one
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Thema
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Journal Article
34
Research Support, Non-U.S. Gov't
22
Molecular docking
13
Bacterial Proteins
10
Binding free energy
9
3D-QSAR
9
Molecular field analysis
9
Pharmacophore
9
molecular docking
8
Homology modeling
8
Molecular dynamics simulations
7
Normal mode analysis
7
Virtual screening
7
molecular dynamics simulations
6
mTOR kinase
5
EC 2.7.11.1
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Protein Kinase Inhibitors
4
ADME
4
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Fragment-based drug discovery
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