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Nucleic Acids Research|April 29, 2025
DeepMolecules: a web server for predicting enzyme and transporter-small molecule interactionsAlexander Kroll, Yvan Rousset, Thomas Spitzlei, et al.Nature Communications|July 12, 2023
Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learningAlexander Kroll, Yvan Rousset, Xiao-Pan Hu, et al.Current Opinion in Structural Biology|May 25, 2025
Recent advances and future trends for protein-small molecule interaction predictions with protein language modelsAlexander Kroll, Yvan RoussetBiology Methods & Protocols|September 30, 2024
DLKcat cannot predict meaningful k cat values for mutants and unfamiliar enzymesAlexander Kroll, Martin J LercherPlos Computational Biology|May 20, 2024
A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationshipsAlexander Kroll, Sahasra Ranjan, Martin J LercherPlos Biology|September 26, 2024
SPOT: A machine learning model that predicts specific substrates for transport proteinsAlexander Kroll, Nico Niebuhr, Gregory Butler, et al.Plos Biology|October 19, 2021
Deep learning allows genome-scale prediction of Michaelis constants from structural featuresAlexander Kroll, Martin K M Engqvist, David Heckmann, et al.Nature Communications|May 15, 2023
A general model to predict small molecule substrates of enzymes based on machine and deep learningAlexander Kroll, Sahasra Ranjan, Martin K M Engqvist, et al.Plos Computational Biology|May 19, 2023
Stochastic modelling of a three-dimensional glycogen granule synthesis and impact of the branching enzymeYvan Rousset, Oliver Ebenhöh, Adélaïde RaguinMolecular Biology and Evolution|December 26, 2007
Integration of horizontally transferred genes into regulatory interaction networks takes many million yearsMartin J Lercher, Csaba PálPageof 12