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PubPharm (10)
1
Computational Insight into the Mechanism of Action of DNA Gyrase Inhibitors; Revealing a New Mechanism
enthalten in:
Current computer-aided drug design
| 2024
von
Muhammed, M.
|
Aki-Yalcin, E.
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2
Benzothiazole Clubbed Imidazolone Derivatives : Synthesis, Molecular Docking, DFT Studies, and Antimicrobial Studies
enthalten in:
Current computer-aided drug design
| 2023
von
Desai, N.
|
Maheta, A.
|
Jethawa, A.
| +3
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3
Screening of Drug Efficacy of Rosmarinic Acid Derivatives as Aurora Kinase Inhibitors by Computer-Aided Drug Design Method
enthalten in:
Current computer-aided drug design
| 2021
von
Sarkar, K.
|
Sarkar, S.
|
Das, R.
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4
Design of Potential IKK-β Inhibitors using Molecular Docking and Molecular Dynamics Techniques for their Anti-cancer Potential
enthalten in:
Current computer-aided drug design
| 2021
von
Singh, S.
|
Hussain, I.
|
Konwar, B.
| +2
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5
DFT based Computational Methodology of IC50 Prediction
enthalten in:
Current computer-aided drug design
| 2021
von
Bag, A.
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6
Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme : QTAIM, NBO, and Docking Study
enthalten in:
Current computer-aided drug design
| 2021
von
Heidarian, R.
|
Zahedi-Tabrizi, M.
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7
DFT-Based QSAR Modelling of Inhibitory Activity of Coumarins and Sulfocoumarins on Carbonic Anhydrase (CA) Isoforms (CA I and CA II)
enthalten in:
Current computer-aided drug design
| 2019
von
Eroglu, E.
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8
Identification of Hydroxamic Acid Based Selective HDAC1 Inhibitors : Computer Aided Drug Design Studies
enthalten in:
Current computer-aided drug design
| 2019
von
Patel, P.
|
Patel, V.
|
Singh, A.
| +3
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9
In Silico Computations of Selective Phytochemicals as Potential Inhibitors Against Major Biological Targets of Diabetes Mellitus
enthalten in:
Current computer-aided drug design
| 2019
von
Akhtar, A.
|
Amir, A.
|
Hussain, W.
| +2
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10
Dynamic Simulation, Docking and DFT Studies Applied to a Set of Anti-Acetylcholinesterase Inhibitors in the enzyme β-Secretase (BACE-1) : An Important Therapeutic Target in Alzheimer`s disease
enthalten in:
Current computer-aided drug design
| 2017
von
Silva-Junior, E.
|
Barcellos Franca, P.
|
Quintans-Junior, L.
| +5
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1
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Thema: DFT
Medienart
10
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10
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10
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Zeitschriftentitel
10
Current computer-aided drug design
Thema
DFT
10
Journal Article
5
molecular docking
2
Antineoplastic Agents
2
Ligands
2
MD simulation
2
Phytochemicals
2
Protein Kinase Inhibitors
2
docking
1
1C058IKG3B
1
3D-QSAR
1
9035-51-2
1
ADME prediction
1
ADMET
1
Alzheimer`s disease
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Amyloid Precursor Protein Secretases
1
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2020-
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