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DFT Studies and Acetylcholinesterase Inhibition Capacity Analysis of an Adamantane-Isothiourea Derivative via Docking and MD Calculations
by
Al-Wahaibi, Lamya H.
,
El-Emam, Ali A.
,
Hassan, Hanan M.
,
Mary, Y. Sheena
,
Mary, Y. Shyma
,
Costa, Renyer A.
,
V. Costa, Emmanoel
,
L. Tananta, Victor
,
El-Masry, Amal A.
Published in
Polycyclic aromatic compounds
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DFT, ADME studies and evaluation of the binding with HSA and MAO-B inhibitory potential of protoberberine alkaloids from Guatteria friesiana: theoretical insights of promising cand...
by
Tananta, Victor L.
,
Costa, Emmanoel V.
,
Mary, Y. Sheena
,
Mary, Y. Shyma
,
S.Al-Otaibi, Jamelah
,
Costa, Renyer A.
Published in
Journal of molecular modeling
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Journal Of Molecular Modeling
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Polycyclic Aromatic Compounds
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Chemistry
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Density Functional Theory
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Dft
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Molecular Docking
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Molecular Dynamics
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Physical Sciences
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Science & Technology
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Solvation
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Acetone
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Acetylcholinesterase
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Adamantane
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Alkaloids
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Amine Oxidase
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Aqueous Solutions
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Aromatic Compounds
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Berberine
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Binding Sites
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Biochemistry & Molecular Biology
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Biophysics
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Brain
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Taylor And Francis:jisc Collections:taylor And Francis Read And Publish Agreement 2024-2025:Science And Technology Collection (Reading List)
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