Efficient surrogate models for materials science simulations: Machine learning-based prediction of microstructure properties
Article in Machine Learning with Applications (June 2024)
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Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures
Article in Journal of Cheminformatics (March 2024)
Physical-Chemical Features Selection Reveals That Differences in Dipeptide Compositions Correlate Most with Protein-Protein Interactions
Preprint in bioRxiv (March 2024)