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El Khoury, Léa
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1

Computationally driven discovery of SARS-CoV-2 Mpro inhibit..:

El Khoury, Léa ; Jing, Zhifeng ; Cuzzolin, Alberto...
info:eu-repo/semantics/altIdentifier/pmid/35432906.  , 2022
Link: http://hdl.handle.net/11..
 
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2

Computationally driven discovery of SARS-CoV-2 Mpro inhibit..:

El Khoury, Léa ; Jing, Zhifeng ; Cuzzolin, Alberto...
Chemical Science.  , 2022
Link: https://irf.fhnw.ch/hand..
 
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3

Enhancing Paraoxon Binding to Organophosphorus Hydrolase Ac..:

Khoury, Léa El ; Mobley, David L ; Ye, Dongmei.
qt8k92x9ws.  , 2021
Link: https://escholarship.org..
 
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4

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

Bradford, Shanshan YC ; Khoury, Léa El ; Ge, Yunhui...
qt7g717086.  , 2021
Link: https://escholarship.org..
 
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5

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

Amezcua, Martin ; El Khoury, Léa ; Mobley, David L
qt16x557zg.  , 2021
Link: https://escholarship.org..
 
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6

SAMPL7/8 Host-Guest Challenges:

Amezcua, Martin ; El Khoury, Lea ; Mobley, David L.
doi:10.5281/zenodo.4429331.  , 2020
Link: https://zenodo.org/recor..
 
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7

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

Sasmal, Sukanya ; El Khoury, Léa ; Mobley, David L
qt7md8k9z4.  , 2020
Link: https://escholarship.org..
 
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8

Quantum-Chemistry based design of halobenzene derivatives w..:

Darazi, Perla El ; Khoury, Léa El ; Hage, Krystel El...
http://arxiv.org/abs/1911.11100.  , 2019
Link: http://arxiv.org/abs/191..
 
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9

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

El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya...
qt7j4543n4.  , 2019
Link: https://escholarship.org..
 
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10

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

Khoury, Léa, El ; Naseem-Khan, Sehr ; Kwapien, Karolina...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcb.7b01836.  , 2017
Link: https://hal.science/hal-..
 
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11

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

El Khoury, Léa ; Piquemal, Jean-Philip ; Fermandjian, Serge...
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bbrc.2017.05.001.  , 2017
Link: https://hal.sorbonne-uni..
 
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12

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

El Khoury, Léa ; Piquemal, Jean-Philip ; Fermandjian, Serge...
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bbrc.2017.05.001.  , 2017
Link: https://hal.sorbonne-uni..
 
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13

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

El Khoury, Léa ; Piquemal, Jean-Philip ; Fermandjian, Serge...
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bbrc.2017.05.001.  , 2017
Link: https://hal.sorbonne-uni..
 
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14

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

Khoury, Léa ; Naseem-Khan, Sehr ; Kwapien, Karolina...
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.jpcb.7b01836.  , 2017
Link: https://hal.archives-ouv..
 
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15

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

El Khoury, Léa ; Piquemal, Jean-Philip ; Fermandjian, Serge...
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.bbrc.2017.05.001.  , 2017
Link: https://hal.sorbonne-uni..
 
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