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A structural machine learning approach for rapid prediction of thermodynamically destabilizing tyrosine phosphorylations2025 Cell Reports Methods article Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Jaie C. Woodard, Atena Malemir Chegini, Jian Tian, Rupa Bhowmick, Subramaniam Pennathur, Alireza Mashaghi, +2 more
4citations -
Rapid prediction of thermodynamically destabilizing tyrosine phosphorylations in cancers2024 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology Machine Learning in Bioinformatics Open access
Jaie C. Woodard, Atena Malemir Chegini, Jian Tian, Rupa Bhowmick, Subramanium Pennathur, Alireza Mashaghi, +2 more
2citations -
3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors2023 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access
Marina Gorostiola González, Remco L. van den Broek, Magdalini Chatzopoulou, Willem Jespers, Adriaan P. IJzerman, Laura H. Heitman, +1 more
6citations -
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alzbeta Tuerkova, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, +4 more
24citations