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topic_facet:"MD simulations"
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PubPharm (26)
1
Identifying Potential SOS1 Inhibitors via Virtual Screening of Multiple Small Molecule Libraries against KRAS-SOS1 Interface
enthalten in:
Chembiochem : a European journal of chemical biology
| 2024
von
Ikram, S.
|
Sayyah, E.
|
Durdagi, S.
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2
Developing Dynamic Structure-Based Pharmacophore and ML-Trained QSAR Models for the Discovery of Novel Resistance-Free RET Tyrosine Kinase Inhibitors
enthalten in:
ChemMedChem
| 2024
von
Sayyah, E.
|
Oktay, L.
|
Tunç, H.
| +1
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3
Ab initio and comparative 3D modeling of FAM222A-encoded protein and target-driven-based virtual screening for the identification of novel therapeutics against Alzheimer's disease
enthalten in:
Journal of molecular graphics & modelling
| 2023
von
Alabdulraheem, Z.
|
Durdagi, S.
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4
Inhibition of altered Orai1 channels in Müller cells protects photoreceptors in retinal degeneration
enthalten in:
Glia
| 2023
von
Sukkar, B.
|
Oktay, L.
|
Sahaboglu, A.
| +7
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5
In Silico Analysis of Bacteriocins from Lactic Acid Bacteria Against SARS-CoV-2
enthalten in:
Probiotics and antimicrobial proteins
| 2023
von
Erol, I.
|
Kotil, S.
|
Fidan, O.
| +3
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6
Virtual drug repurposing study for the CGRPR identifies pentagastrin and leuprorelin as putative candidates
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Aksoydan, B.
|
Durdagi, S.
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7
Identifying highly effective coumarin-based novel cholinesterase inhibitors by in silico and in vitro studies
enthalten in:
Journal of molecular graphics & modelling
| 2022
von
Onder, F.
|
Sahin, K.
|
Senturk, M.
| +2
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8
The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies
enthalten in:
Molecular therapy : the journal of the American Society of Gene Therapy
| 2022
von
Durdagi, S.
|
Avsar, T.
|
Orhan, M.
| +23
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9
Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2 : A Combined in silico and in vitro Study
enthalten in:
Molecular informatics
| 2022
von
Durdagi, S.
|
Orhan, M.
|
Aksoydan, B.
| +6
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10
In Silico Analysis of Bacteriocins from Lactic Acid Bacteria Against SARS-CoV-2
enthalten in:
Probiotics and antimicrobial proteins
| 2021
von
Erol, I.
|
Kotil, S.
|
Fidan, O.
| +3
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Thema: MD simulations
Medienart
26
Aufsätze
23
E-Artikel
23
E-Ressourcen
3
Gedruckte Aufsätze
Zeitschriftentitel
4
Journal of biomolecular structure & dynamics
4
Journal of molecular graphics & modelling
3
Medicinal chemistry research
2
European journal of medicinal chemistry
2
Journal of enzyme inhibition and medicinal chem...
2
Probiotics and antimicrobial proteins
1
Bioorganic chemistry
1
ChemMedChem
1
Chembiochem : a European journal of chemical bi...
1
Frontiers in chemistry
1
Glia
1
Molecular informatics
1
Molecular therapy : the journal of the American...
1
Neuroscience letters
1
Probiotics and Antimicrobial Proteins
Alle anzeigen ...
weniger ...
Thema
MD simulations
20
Journal Article
8
Research Support, Non-U.S. Gov't
7
Molecular docking
4
Acetylcholinesterase
4
COVID-19
4
Cholinesterase Inhibitors
4
EC 3.1.1.7
4
Ligands
4
SARS-CoV-2
4
molecular docking
4
virtual screening
3
AT
3
Bacteriocins
3
Beta variant
3
Butyrylcholinesterase
3
Conformational analysis
3
DSC
3
EC 3.1.1.8
3
Protein–protein docking
Alle anzeigen ...
weniger ...
Erscheinungszeitraum
16
2020-
10
2010-2019
Erscheinungsjahr(e)
Von:
Bis:
Sprache
26
Englisch
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