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topic_facet:"molecular dynamic simulation"
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PubPharm (7)
1
Mycobacterium tuberculosis nucleoside diphosphate kinase shows interaction with putative ATP binding cassette (ABC) transporter, Rv1273c
enthalten in:
Journal of biomolecular structure & dynamics
| 2020
von
Gupta, S.
|
Shukla, H.
|
Kumar, A.
| +5
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2
Structural basis of urea-induced unfolding of Fasciola gigantica glutathione S-transferase
enthalten in:
Journal of cellular physiology
| 2019
von
Kalita, J.
|
Shukla, R.
|
Tripathi, T.
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3
Structural and energetic understanding of novel natural inhibitors of Mycobacterium tuberculosis malate synthase
enthalten in:
Journal of cellular biochemistry
| 2019
von
Shukla, R.
|
Shukla, H.
|
Tripathi, T.
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4
Identification of novel natural inhibitors of Opisthorchis felineus cytochrome P450 using structure-based screening and molecular dynamic simulation
enthalten in:
Journal of biomolecular structure & dynamics
| 2018
von
Shukla, R.
|
Chetri, P.
|
Sonkar, A.
| +3
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5
Identification of potential inhibitors of Fasciola gigantica thioredoxin1 : computational screening, molecular dynamics simulation, and binding free energy studies
enthalten in:
Journal of biomolecular structure & dynamics
| 2018
von
Shukla, R.
|
Shukla, H.
|
Kalita, P.
| +5
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6
Structure-based screening and molecular dynamics simulations offer novel natural compounds as potential inhibitors of Mycobacterium tuberculosis isocitrate lyase
enthalten in:
Journal of biomolecular structure & dynamics
| 2018
von
Shukla, R.
|
Shukla, H.
|
Sonkar, A.
| +2
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7
Structural insights into natural compounds as inhibitors of Fasciola gigantica thioredoxin glutathione reductase
enthalten in:
Journal of cellular biochemistry
| 2018
von
Shukla, R.
|
Shukla, H.
|
Kalita, P.
| +1
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1
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Thema: molecular dynamic simulation
Medienart
7
Aufsätze
7
E-Artikel
7
E-Ressourcen
Zeitschriftentitel
4
Journal of biomolecular structure & dynamics
2
Journal of cellular biochemistry
1
Journal of cellular physiology
Thema
7
Journal Article
molecular dynamic simulation
5
drug target
5
virtual screening
4
binding energy
4
molecular docking
4
natural compounds
3
Helminth Proteins
3
Mycobacterium tuberculosis
2
Bacterial Proteins
2
Biological Products
2
Enzyme Inhibitors
2
Ligands
2
Research Support, Non-U.S. Gov't
1
304NUG5GF4
1
52500-60-4
1
8VZV102JFY
1
8W8T17847W
1
9035-51-2
1
ATP-Binding Cassette Transporters
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Erscheinungszeitraum
1
2020-
6
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
7
Englisch
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