Dr Alex de Sa
Honorary Fellow
School of Chemistry and Molecular Biosciences
Journal Articles
Sen, Jonathan, Wahi, Sudhir, Vollbon, William, Prior, Marcus, de Sá, Alex G.C., Ascher, David B., Huynh, Quan and Marwick, Thomas H. (2025). Definition and validation of prognostic phenotypes in moderate aortic stenosis. JACC: Cardiovascular Imaging, 18 (2), 133-149. doi: 10.1016/j.jcmg.2024.06.013
Soh, Cheng Hwee, de Sá, Alex G. C., Potter, Elizabeth, Halabi, Amera, Ascher, David B. and Marwick, Thomas H. (2024). Use of the energy waveform electrocardiogram to detect subclinical left ventricular dysfunction in patients with type 2 diabetes mellitus. Cardiovascular Diabetology, 23 (1) 91. doi: 10.1186/s12933-024-02141-1
Huang, Katherine, de Sá, Alex G. C., Thomas, Natalie, Phair, Robert D., Gooley, Paul R., Ascher, David B. and Armstrong, Christopher W. (2024). Discriminating Myalgic Encephalomyelitis/Chronic Fatigue Syndrome and comorbid conditions using metabolomics in UK biobank. Communications Medicine, 4 (1) 248, 1-14. doi: 10.1038/s43856-024-00669-7
Myung, Yoochan, de Sá, Alex G. C. and Ascher, David B. (2024). Deep-PK: deep learning for small molecule pharmacokinetic and toxicity prediction. Nucleic Acids Research, 52 (W1), W469-W475. doi: 10.1093/nar/gkae254
Uthayopas, Korawich, de Sá, Alex G.C., Alavi, Azadeh, Pires, Douglas E.V. and Ascher, David B. (2024). PRIMITI: a computational approach for accurate prediction of miRNA-target mRNA interaction. Computational and Structural Biotechnology Journal, 23, 3030-3039. doi: 10.1016/j.csbj.2024.06.030
Velloso, João Paulo L., de Sá, Alex G. C., Pires, Douglas E. V. and Ascher, David B. (2024). Engineering G protein‐coupled receptors for stabilization. Protein Science, 33 (6) e5000, 1-13. doi: 10.1002/pro.5000
Nguyen, Thanh Binh, de Sá, Alex G. C., Rodrigues, Carlos H. M., Pires, Douglas E. V. and Ascher, David B. (2023). LEGO-CSM: a tool for functional characterization of proteins. Bioinformatics, 39 (7) btad402, 1-4. doi: 10.1093/bioinformatics/btad402
Silk, Michael, de Sá, Alex, Olshansky, Moshe and Ascher, David B. (2023). Insights from spatial measures of intolerance to identifying pathogenic variants in developmental and epileptic encephalopathies. International Journal of Molecular Sciences, 24 (6) 5114, 1-9. doi: 10.3390/ijms24065114
Iftkhar, Saba, de Sá, Alex G. C., Velloso, João P. L., Aljarf, Raghad, Pires, Douglas E. V. and Ascher, David B. (2022). cardioToxCSM: a web server for predicting cardiotoxicity of small molecules. Journal of Chemical Information and Modeling, 62 (20), 4827-4836. doi: 10.1021/acs.jcim.2c00822
de Sá, Alex G.C., Long, Yangyang, Portelli, Stephanie, Pires, Douglas E.V. and Ascher, David B. (2022). toxCSM: comprehensive prediction of small molecule toxicity profiles. Briefings in Bioinformatics, 23 (5) bbac337, 1-11. doi: 10.1093/bib/bbac337
Uthayopas, Korawich, de Sá, Alex G.C., Alavi, Azadeh, Pires, Douglas E.V. and Ascher, David B. (2021). TSMDA: Target and symptom-based computational model for miRNA-disease-association prediction. Molecular Therapy - Nucleic Acids, 26, 536-546. doi: 10.1016/j.omtn.2021.08.016
Nguyen, Thanh Binh, Myung, Yoochan, de Sá, Alex G. C., Pires, Douglas E. V. and Ascher, David B. (2021). mmCSM-NA: accurately predicting effects of single and multiple mutations on protein–nucleic acid binding affinity. NAR Genomics and Bioinformatics, 3 (4) lqab109, lqab109. doi: 10.1093/nargab/lqab109
Al-Jarf, Raghad, de Sá, Alex G. C., Pires, Douglas E. V. and Ascher, David B. (2021). pdCSM-cancer: using graph-based signatures to identify small molecules with anticancer properties. Journal of Chemical Information and Modeling, 61 (7), 3314-3322. doi: 10.1021/acs.jcim.1c00168
Portelli, Stephanie, Barr, Lucy, de Sá, Alex G.C., Pires, Douglas E.V. and Ascher, David B. (2021). Distinguishing between PTEN clinical phenotypes through mutation analysis. Computational and Structural Biotechnology Journal, 19, 3097-3109. doi: 10.1016/j.csbj.2021.05.028
Conference Paper
de Sá, Alex G. C. and Ascher, David B. (2024). Towards evolutionary-based automated machine learning for small molecule pharmacokinetic prediction. GECCO '24 Companion, Melbourne, VIC, Australia, 14-18 July 2024. New York, NY, United States: ACM. doi: 10.1145/3638530.3664166