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El Khoury, Léa
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1

Computationally driven discovery of SARS-CoV-2 Mproinhibito..:

El Khoury, Léa ; Jing, Zhifeng ; Cuzzolin, Alberto...
Chemical Science.  13 (2022)  13 - p. 3674-3687 , 2022
Link: https://doi.org/10.1039/..
 
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2

SAMPL7 Host–Guest Challenge Overview: assessing the reliabi..:

Amezcua, Martin ; El Khoury, Léa ; Mobley, David L.
Journal of Computer-Aided Molecular Design.  35 (2021)  1 - p. 1-35 , 2021
Link: https://doi.org/10.1007/..
 
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3

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Ac..:

El Khoury, Léa ; Mobley, David L. ; Ye, Dongmei.
International Journal of Molecular Sciences.  22 (2021)  23 - p. 12624 , 2021
Link: https://doi.org/10.3390/..
 
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4

A patch of nonscarring alopecia on the vertex of a 16‐year‐..:

Merhy, Reine ; Sarkis, Anne‐Sophie ; El Khoury, Lea..
International Journal of Dermatology.  61 (2021)  1 - p. , 2021
Link: https://doi.org/10.1111/..
 
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5

Temperature artifacts in protein structures bias ligand-bin..:

Bradford, Shanshan Y. C. ; El Khoury, Léa ; Ge, Yunhui...
Chemical Science.  12 (2021)  34 - p. 11275-11293 , 2021
Link: https://doi.org/10.1039/..
 
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6

B-Cell Lymphoblastic Lymphoma in Relapse Presenting as a Ut..:

Abou Chakra, Rim ; Najib, Bernard ; Abdallah, Wael...
Case Reports in Oncology.  14 (2021)  2 - p. 868-873 , 2021
Link: https://doi.org/10.1159/..
 
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7

Successful treatment of pediatric keratosis lichenoides chr..:

Merhy, Reine ; Afiouni, Rym ; Sarkis, Anne-Sophie...
Photodermatology, Photoimmunology & Photomedicine.  37 (2021)  6 - p. 553-555 , 2021
Link: https://doi.org/10.1111/..
 
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8

Pituitary Adenoma and Papillary Craniopharyngioma: A Rare C..:

Bteich, Fred ; El Khoury, Lea ; Nohra, Georges...
World Neurosurgery.  139 (2020)  - p. 63-69 , 2020
Link: https://doi.org/10.1016/..
 
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9

Reconciling NMR Structures of the HIV-1 Nucleocapsid Protei..:

El Khoury, Léa ; Célerse, Frédéric ; Lagardère, Louis...
Journal of Chemical Theory and Computation.  16 (2020)  4 - p. 2013-2020 , 2020
Link: https://doi.org/10.1021/..
 
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10

Comparison of affinity ranking using AutoDock-GPU and MM-GB..:

El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya...
Journal of Computer-Aided Molecular Design.  33 (2019)  12 - p. 1011-1020 , 2019
Link: https://doi.org/10.1007/..
 
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11

Spectrometric and computational studies of the binding of H..:

El Khoury, Léa ; El Hage, Krystel ; Piquemal, Jean-Philip...
PeerJ Physical Chemistry.  1 (2019)  - p. e6 , 2019
Link: https://doi.org/10.7717/..
 
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12

D3R Grand Challenge 4: ligand similarity and MM-GBSA-based ..:

Sasmal, Sukanya ; El Khoury, Léa ; Mobley, David L.
Journal of Computer-Aided Molecular Design.  34 (2019)  2 - p. 163-177 , 2019
Link: https://doi.org/10.1007/..
 
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13

Importance of explicit smeared lone-pairs in anisotropic po..:

El Khoury, Léa ; Naseem-Khan, Sehr ; Kwapien, Karolina...
Journal of Computational Chemistry.  38 (2017)  22 - p. 1897-1920 , 2017
Link: https://doi.org/10.1002/..
 
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14

Calibration of 1,2,4-Triazole-3-Thione, an Original Zn-Bind..:

Kwapien, Karolina ; Damergi, Mirna ; Nader, Serge...
The Journal of Physical Chemistry B.  121 (2017)  26 - p. 6295-6312 , 2017
Link: https://doi.org/10.1021/..
 
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15

The inhibition process of HIV-1 integrase by diketoacids mo..:

El Khoury, Léa ; Piquemal, Jean-Philip ; Fermandjian, Serge...
Biochemical and Biophysical Research Communications.  488 (2017)  3 - p. 433-438 , 2017
Link: https://doi.org/10.1016/..
 
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