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Cournia, Zoe
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1

Free energy landscape of the PI3Kα C-terminal activation:

Kotzampasi, Danai Maria ; Papadourakis, Michail ; Burke, John E..
Computational and Structural Biotechnology Journal.  , 2024
Link: https://doi.org/10.1016/..
 
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2

Machine learning approaches in predicting allosteric sites:

Nerín-Fonz, Francho ; Cournia, Zoe
Current Opinion in Structural Biology.  85 (2024)  - p. 102774 , 2024
Link: https://doi.org/10.1016/..
 
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3

Editorial: Machine Learning in Materials Science:

Merz, Kenneth M. ; Choong, Yee Siew ; Cournia, Zoe...
Journal of Chemical Information and Modeling.  64 (2024)  10 - p. 3959-3960 , 2024
Link: https://doi.org/10.1021/..
 
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4

Applications of Free-Energy Calculations to Biomolecular Pr..:

Cournia, Zoe ; Chipot, Christophe
The Journal of Physical Chemistry B.  128 (2024)  14 - p. 3299-3301 , 2024
Link: https://doi.org/10.1021/..
 
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5

Computational Investigation of BMAA and Its Carbamate Adduc..:

Diakogiannaki, Isidora ; Papadourakis, Michail ; Spyridaki, Vasileia..
Journal of Chemical Information and Modeling.  64 (2024)  13 - p. 5140-5150 , 2024
Link: https://doi.org/10.1021/..
 
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6

Applications of Free-Energy Calculations to Biomolecular Pr..:

Cournia, Zoe ; Chipot, Christophe
Journal of Chemical Information and Modeling.  64 (2024)  7 - p. 2129-2131 , 2024
Link: https://doi.org/10.1021/..
 
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7

Martini 3 Force Field Parameters for Protein Lipidation Pos..:

Koukos, Panagiotis I. ; Dehghani-Ghahnaviyeh, Sepehr ; Velez-Vega, Camilo...
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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8

Predicting protein-membrane interfaces using molecular simu..:

Cournia, Zoe
Biophysical Journal.  122 (2023)  3 - p. 325a , 2023
Link: https://doi.org/10.1016/..
 
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9

A Perspective on the Prospective Use of AI in Protein Struc..:

Versini, Raphaelle ; Sritharan, Sujith ; Aykac Fas, Burcu...
Journal of Chemical Information and Modeling.  64 (2023)  1 - p. 26-41 , 2023
Link: https://doi.org/10.1021/..
 
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10

Guidelines for Reporting Molecular Dynamics Simulations in ..:

Soares, Thereza A. ; Cournia, Zoe ; Naidoo, Kevin...
Journal of Chemical Information and Modeling.  63 (2023)  11 - p. 3227-3229 , 2023
Link: https://doi.org/10.1021/..
 
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11

Alchemical Free Energy Calculations on Membrane-Associated ..:

Papadourakis, Michail ; Sinenka, Hryhory ; Matricon, Pierre...
Journal of Chemical Theory and Computation.  19 (2023)  21 - p. 7437-7458 , 2023
Link: https://doi.org/10.1021/..
 
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12

Comparative Interaction Studies of Quercetin with 2-Hydroxy..:

Vakali, Vasiliki ; Papadourakis, Michail ; Georgiou, Nikitas...
Molecules.  27 (2022)  17 - p. 5490 , 2022
Link: https://doi.org/10.3390/..
 
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13

Contributors:

, In: Cholesterol,
Aguayo, Luis G. ; Ahmed, Marium ; Ahmed, Mohamed H.... - p. xiii-xvi , 2022
Link: https://doi.org/10.1016/..
 
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14

DREAMM: a web-based server for drugging protein-membrane in..:

Chatzigoulas, Alexios ; Cournia, Zoe ; Cowen, Lenore
Bioinformatics.  38 (2022)  24 - p. 5449-5451 , 2022
Link: https://doi.org/10.1093/..
 
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15

Effects of cholesterol on the GPCR AT1 receptor and its int..:

, In: Cholesterol,
Kiriakidi, Sofia ; Cournia, Zoe ; Mavromoustakos, Thomas - p. 147-168 , 2022
Link: https://doi.org/10.1016/..
 
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