Stephen J Barigye (S J Barigye)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 15

Top Topics

Molecular Dynamics Simulations

Myasthenia Gravis

Single Molecule

Top Venues

Journal of chemical information and modeling

Chemical research in toxicology

Molecular diversity

SAR and QSAR in environmental research

This page only lists publications with an associated author ORCID identifier.

Publications

Kevin Castillo-Mendieta, Guillermin Agüero-Chapin, Edgar A Márquez, Yunierkis Perez Castillo, Stephen J Barigye, Mariela Pérez-Cárdenas, Facundo Peréz-Giménez, Yovani Marrero-Ponce
Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence. Chemical research in toxicology (2024)
Kevin Castillo-Mendieta, Guillermin Agüero-Chapin, Edgar A Márquez, Yunierkis Perez Castillo, Stephen J Barigye, Mariela Pérez-Cárdenas, Facundo Peréz-Giménez, Yovani Marrero-Ponce
Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence. Chemical research in toxicology 37 (4) (2024)
Kevin Castillo-Mendieta, Guillermin Agüero-Chapin, Edgar A Márquez, Yunierkis Perez Castillo, Stephen J Barigye, Mariela Pérez-Cárdenas, Facundo Peréz-Giménez, Yovani Marrero-Ponce
Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence. Chemical research in toxicology 37 (4) (2024)
Laureano E Carpio, Yolanda Sanz, Rafael Gozalbes, Stephen J Barigye
Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review. Molecular diversity 25 (3) (2021)
Stephen J Barigye, Jose Manuel García de la Vega, Yunierkis Perez Castillo, Juan A Castillo-Garit
Evolutionary algorithm-based generation of optimum peptide sequences with dengue virus inhibitory activity. Future medicinal chemistry 13 (11) (2021)
Juan A Castillo-Garit, Stephen J Barigye, Pham-The Hai, V Pérez-Doñate, Francisco Torrens, F Pérez-Giménez
Computational identification of chemical compounds with potential anti-Chagas activity using a classification tree. SAR and QSAR in environmental research 32 (1) (2021)
Wanlei Wei, Candide Champion, Stephen J Barigye, Zhaomin Liu, Paul Labute, Nicolas Moitessier
Use of Extended-Hückel Descriptors for Rapid and Accurate Predictions of Conjugated Torsional Energy Barriers. Journal of chemical information and modeling 60 (7) (2020)
Stephen J Barigye, Sergi Gómez-Ganau, Eva Serrano-Candelas, Rafael Gozalbes
PeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints. Proteins 89 (2) (2020)
Stephen J Barigye, José M García de la Vega, Yunierkis Perez-Castillo
Generative Adversarial Networks (GANs) Based Synthetic Sampling for Predictive Modeling. Molecular informatics 39 (10) (2020)
Candide Champion, Stephen J Barigye, Wanlei Wei, Zhaomin Liu, Paul Labute, Nicolas Moitessier
Atom Type Independent Modeling of the Conformational Energy of Benzylic, Allylic, and Other Bonds Adjacent to Conjugated Systems. Journal of chemical information and modeling 59 (11) (2019)
Wanlei Wei, Candide Champion, Zhaomin Liu, Stephen J Barigye, Paul Labute, Nicolas Moitessier
Torsional Energy Barriers of Biaryls Could Be Predicted by Electron Richness/Deficiency of Aromatic Rings; Advancement of Molecular Mechanics toward Atom-Type Independence. Journal of chemical information and modeling 59 (11) (2019)
Stephen J Barigye, José Manuel García de la Vega, Juan A Castillo-Garit
Undersampling: case studies of flaviviral inhibitory activities. Journal of computer-aided molecular design 33 (11) (2019)
Stephen J Barigye, Matheus P DE Freitas, Priscila Ausina, Patricia Zancan, Mauro Sola-Penna, Juan A Castillo-Garit
Discrete Fourier Transform-Based Multivariate Image Analysis: Application to Modeling of Aromatase Inhibitory Activity. ACS combinatorial science 20 (2) (2018)
Zhaomin Liu, Stephen J Barigye, Moeed Shahamat, Paul Labute, Nicolas Moitessier
Atom Types Independent Molecular Mechanics Method for Predicting the Conformational Energy of Small Molecules. Journal of chemical information and modeling 58 (1) (2018)
Stephen J Barigye, Matheus P Freitas
Is molecular alignment an indispensable requirement in the MIA-QSAR method? Journal of computational chemistry 36 (23) (2015)