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Barigye, Stephen J.
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1

Comparative Binding Study of Gliptins to Bacterial DPP4-lik..:

Carpio, Laureano E. ; Olivares, Marta ; Benítez-Paez, Alfonso...
International Journal of Molecular Sciences.  25 (2024)  11 - p. 5744 , 2024
Link: https://doi.org/10.3390/..
 
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2

Rethinking the applicability domain analysis in QSAR models:

Mora, Jose R. ; Marquez, Edgar A. ; Pérez-Pérez, Noel...
Journal of Computer-Aided Molecular Design.  38 (2024)  1 - p. , 2024
Link: https://doi.org/10.1007/..
 
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3

Multiquery Similarity Searching Models: An Alternative Appr..:

Castillo-Mendieta, Kevin ; Agüero-Chapin, Guillermin ; Marquez, Edgar...
Chemical Research in Toxicology.  37 (2024)  4 - p. 580-589 , 2024
Link: https://doi.org/10.1021/..
 
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4

Theoretical study of the hydrolysis mechanism ofβ-lactam an..:

Zurita, Juan E. ; Mora, José R. ; Martinez-Rios, Felix..
Molecular Physics.  , 2024
Link: https://doi.org/10.1080/..
 
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5

Exploring proteasome inhibition using atomic weighted vecto..:

Martínez-López, Yoan ; Castillo-Garit, Juan A. ; Casanola-Martin, Gerardo M....
Molecular Diversity.  , 2023
Link: https://doi.org/10.1007/..
 
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6

Identification of NLRP3PYD Homo-Oligomerization Inhibitors ..:

Moasses Ghafary, Soroush ; Soriano-Teruel, Paula M. ; Lotfollahzadeh, Shima...
International Journal of Molecular Sciences.  23 (2022)  3 - p. 1651 , 2022
Link: https://doi.org/10.3390/..
 
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7

Computational strategies for the discovery of biological fu..:

Carpio, Laureano E. ; Sanz, Yolanda ; Gozalbes, Rafael.
Molecular Diversity.  25 (2021)  3 - p. 1425-1438 , 2021
Link: https://doi.org/10.1007/..
 
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8

Assessing the chemical-induced estrogenicity using in silic..:

Goya-Jorge, Elizabeth ; Amber, Mazia ; Gozalbes, Rafael..
Environmental Toxicology and Pharmacology.  87 (2021)  - p. 103688 , 2021
Link: https://doi.org/10.1016/..
 
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9

OncoOmics approaches to reveal essential genes in breast ca..:

López-Cortés, Andrés ; Paz-y-Miño, César ; Guerrero, Santiago...
Scientific Reports.  10 (2020)  1 - p. , 2020
Link: https://doi.org/10.1038/..
 
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10

Predictive modeling of aryl hydrocarbon receptor (AhR) agon..:

Goya-Jorge, Elizabeth ; Giner, Rosa M. ; Sylla-Iyarreta Veitía, Maité..
Chemosphere.  256 (2020)  - p. 127068 , 2020
Link: https://doi.org/10.1016/..
 
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11

Targeting the aryl hydrocarbon receptor with a novel set of..:

Goya-Jorge, Elizabeth ; Rampal, Celine ; Loones, Nicolas...
European Journal of Medicinal Chemistry.  207 (2020)  - p. 112777 , 2020
Link: https://doi.org/10.1016/..
 
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12

Use of Extended-Hückel Descriptors for Rapid and Accurate P..:

Wei, Wanlei ; Champion, Candide ; Barigye, Stephen J....
Journal of Chemical Information and Modeling.  60 (2020)  7 - p. 3534-3545 , 2020
Link: https://doi.org/10.1021/..
 
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13

Generative Adversarial Networks (GANs) Based Synthetic Samp..:

Barigye, Stephen J. ; García de la Vega, José M. ; Perez‐Castillo, Yunierkis
Molecular Informatics.  39 (2020)  10 - p. 2000086 , 2020
Link: https://doi.org/10.1002/..
 
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14

PeptiDesCalculator: Software for computation of peptide des..:

Barigye, Stephen J. ; Gómez‐Ganau, Sergi ; Serrano‐Candelas, Eva.
Proteins: Structure, Function, and Bioinformatics.  89 (2020)  2 - p. 174-184 , 2020
Link: https://doi.org/10.1002/..
 
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15

Development of Generalized QSAR Models for Predicting Cytot..:

Ambure, Pravin ; Ballesteros, Arantxa ; Huertas, Francisco...
International Journal of Quantitative Structure-Property Relationships.  5 (2020)  4 - p. 83-100 , 2020
Link: https://doi.org/10.4018/..
 
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