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Orabi, Esam A.
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1

Dimerization mechanism of an inverted-topology ion channel ..:

Ernst, Melanie ; Orabi, Esam A. ; Stockbridge, Randy B...
Proceedings of the National Academy of Sciences.  120 (2023)  47 - p. , 2023
Link: https://doi.org/10.1073/..
 
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2

Structural determination and anticholinesterase assay of C-..:

Orabi, Mohamed A.A. ; Orabi, Esam A. ; Abdel-Sattar, El-Shaymaa...
Fitoterapia.  164 (2023)  - p. 105360 , 2023
Link: https://doi.org/10.1016/..
 
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3

New Megastigmane and Polyphenolic Components of Henna Leave..:

Orabi, Mohamed A. A. ; Orabi, Esam A. ; Awadh, Ahmed Abdullah Al...
Antioxidants.  12 (2023)  11 - p. 1951 , 2023
Link: https://doi.org/10.3390/..
 
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4

Inter/intramolecular hydrogen bonding mediate miscible blen..:

Du, Wei-Ting ; Orabi, Esam A. ; Mohamed, Mohamed Gamal.
Polymer.  219 (2021)  - p. 123542 , 2021
Link: https://doi.org/10.1016/..
 
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5

Molecular dynamics investigation of the structural flexibil..:

Orabi, Esam A.
Journal of Molecular Liquids.  329 (2021)  - p. 115469 , 2021
Link: https://doi.org/10.1016/..
 
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6

Twisted Intramolecular Charge Transfer (TICT) Controlled by..:

El-Zohry, Ahmed M. ; Orabi, Esam A. ; Karlsson, Martin.
The Journal of Physical Chemistry A.  125 (2021)  14 - p. 2885-2894 , 2021
Link: https://doi.org/10.1021/..
 
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7

Corrections in the CHARMM36 Parametrization of Chloride Int..:

Orabi, Esam A. ; Öztürk, Tuǧba N. ; Bernhardt, Nathan.
Journal of Chemical Theory and Computation.  17 (2021)  10 - p. 6240-6261 , 2021
Link: https://doi.org/10.1021/..
 
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8

Modeling Shows that Rotation about the Peroxide O–O Bond As..:

Orabi, Esam A. ; English, Ann M.
The Journal of Physical Chemistry B.  125 (2020)  1 - p. 137-147 , 2020
Link: https://doi.org/10.1021/..
 
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9

Aggregation-induced emission with white, green, or blue lum..:

Younis, Osama ; Orabi, Esam A. ; Kamal, Adel M....
Optical Materials.  100 (2020)  - p. 109713 , 2020
Link: https://doi.org/10.1016/..
 
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10

Biologically-Active Heterocyclic Molecules with Aggregation..:

Younis, Osama ; Tolba, Mahmoud S. ; Orabi, Esam A....
Journal of Photochemistry and Photobiology A: Chemistry.  400 (2020)  - p. 112642 , 2020
Link: https://doi.org/10.1016/..
 
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11

New Molecular-Mechanics Model for Simulations of Hydrogen F..:

Orabi, Esam A. ; Faraldo-Gómez, José D.
Journal of Chemical Theory and Computation.  16 (2020)  8 - p. 5105-5126 , 2020
Link: https://doi.org/10.1021/..
 
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12

Structures, NMR Spectroscopic Features, and Cytotoxic Prope..:

Orabi, Mohamed A. A. ; Orabi, Esam A. ; Taniguchi, Shoko...
Journal of Natural Products.  82 (2019)  10 - p. 2682-2695 , 2019
Link: https://doi.org/10.1021/..
 
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13

Expanding the range of binding energies and oxidizability o..:

Orabi, Esam A. ; English, Ann M.
Physical Chemistry Chemical Physics.  21 (2019)  27 - p. 14620-14628 , 2019
Link: https://doi.org/10.1039/..
 
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14

Drude polarizable force field for cation–π interactions of ..:

Orabi, Esam A. ; Davis, Rebecca L. ; Lamoureux, Guillaume
Journal of Computational Chemistry.  41 (2019)  5 - p. 472-481 , 2019
Link: https://doi.org/10.1002/..
 
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15

Conducting copolymers nanocomposite coatings with aggregati..:

Aly, Kamal I. ; Younis, Osama ; Mahross, Mahmoud H....
Progress in Organic Coatings.  135 (2019)  - p. 525-535 , 2019
Link: https://doi.org/10.1016/..
 
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