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Soares, Thereza A.
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1

Enhancing Coarse-Grained Models through Machine Learning:

Karmakar, Tarak ; Soares, Thereza A. ; Merz Jr., Kenneth M.
Journal of Chemical Information and Modeling.  64 (2024)  8 - p. 2931-2932 , 2024
Link: https://doi.org/10.1021/..
 
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2

The Impact of Interdisciplinary, Gender and Geographic Dist..:

Prati, Ronaldo C. ; Rodrigues, Bruno S. M. ; Aragão, Iberis...
Journal of Chemical Information and Modeling.  64 (2024)  4 - p. 1107-1111 , 2024
Link: https://doi.org/10.1021/..
 
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3

Interfacial structurization between triolein and water from..:

Frigerio, Matteo ; V. M. Freire, Rafael ; Soares, Thereza A....
Journal of Colloid and Interface Science.  665 (2024)  - p. 1091-1101 , 2024
Link: https://doi.org/10.1016/..
 
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4

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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5

Exploring the Molecular Dynamics of a Lipid-A Vesicle at th..:

Santos, Denys E. S. ; De Nicola, Antonio ; dos Santos, Vinicius F...
The Journal of Physical Chemistry B.  127 (2023)  30 - p. 6694-6702 , 2023
Link: https://doi.org/10.1021/..
 
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6

Inhibition of 3-Hydroxykynurenine Transaminase from Aedes a..:

Maciel, Larissa G. ; Ferraz, Matheus V. F. ; Oliveira, Andrew A....
ACS Bio & Med Chem Au.  3 (2023)  2 - p. 211-222 , 2023
Link: https://doi.org/10.1021/..
 
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7

Accelerating Lipid Flip-Flop at Low Concentrations: A Gener..:

Carrer, Manuel ; Nielsen, Josefine Eilsø ; Cezar, Henrique Musseli...
The Journal of Physical Chemistry Letters.  14 (2023)  31 - p. 7014-7019 , 2023
Link: https://doi.org/10.1021/..
 
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8

Editorial: Editing DNA and RNA through Computations:

Palermo, Giulia ; Soares, Thereza A.
Journal of Chemical Information and Modeling.  63 (2023)  24 - p. 7603-7604 , 2023
Link: https://doi.org/10.1021/..
 
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9

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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10

Computational Chemistry in Asia:

Wei, Guo-Wei ; Soares, Thereza A. ; Wahab, Habibah.
Journal of Chemical Information and Modeling.  62 (2022)  21 - p. 5035-5037 , 2022
Link: https://doi.org/10.1021/..
 
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11

Bias Amplification in Gender, Gender Identity, and Geograph..:

Cascella, Michele ; Soares, Thereza A.
Journal of Chemical Information and Modeling.  62 (2022)  24 - p. 6297-6301 , 2022
Link: https://doi.org/10.1021/..
 
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12

Surface Assessment via Grid Evaluation (SuAVE) for Every Su..:

Santos, Denys E. S. ; Coutinho, Kaline ; Soares, Thereza A.
Journal of Chemical Information and Modeling.  62 (2022)  19 - p. 4690-4701 , 2022
Link: https://doi.org/10.1021/..
 
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13

Celebrating Diversity, Equity, Inclusion, and Respect in Co..:

Cournia, Zoe ; Soares, Thereza A ; Wahab, Habibah A.
Journal of Chemical Information and Modeling.  62 (2022)  24 - p. 6287-6291 , 2022
Link: https://doi.org/10.1021/..
 
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14

The Effect of Surface Composition on the Selective Capture ..:

Vendite, Alexsander C. ; Soares, Thereza A. ; Coutinho, Kaline
Journal of Chemical Information and Modeling.  62 (2022)  24 - p. 6530-6543 , 2022
Link: https://doi.org/10.1021/..
 
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15

The (Re)-Evolution of Quantitative Structure–Activity Relat..:

Soares, Thereza A. ; Nunes-Alves, Ariane ; Mazzolari, Angelica...
Journal of Chemical Information and Modeling.  62 (2022)  22 - p. 5317-5320 , 2022
Link: https://doi.org/10.1021/..
 
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