Alexander Kroll

A general model to predict small molecule substrates of enzymes based on machine and deep learning

Alexander Kroll, Sahasra Ranjan, Martin K. M. Engqvist et al. · Nature Communications · 2023 · 178 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +16

Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning

Alexander Kroll, Yvan Rousset, Xiao-Pan Hu et al. · Nature Communications · 2023 · 174 citations · Full text

Life Sciences, Biochemistry, Biology +14

Deep learning allows genome-scale prediction of Michaelis constants from structural features

Alexander Kroll, Martin K. M. Engqvist, David Heckmann et al. · PLoS Biology · 2021 · 133 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17

DLKcat cannot predict meaningful <i>k</i>cat values for mutants and unfamiliar enzymes

Alexander Kroll, Martin J. Lercher · Biology Methods and Protocols · 2024 · 30 citations · Full text

Life Sciences, Biochemistry, Bioinformatics +13

A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships

Alexander Kroll, Sahasra Ranjan, Martin J. Lercher · PLoS Computational Biology · 2024 · 29 citations · Full text

Engineering, Biochemistry, Bioinformatics +14