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Alexander Kroll

Observed name: Kroll, Alexander
ORCID: 0000-0001-8670-7039
Observed ORCID: 0000-0001-8670-7039
OpenAlex ID: A5091175454
A general model to predict small molecule substrates of enzymes based on machine and deep learning
2023 · Alexander Kroll, Sahasra Ranjan, et al. · Nature Communications · 220
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Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning
2023 · Alexander Kroll, Yvan Rousset, et al. · Nature Communications · 194
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Deep learning allows genome-scale prediction of Michaelis constants from structural features
2021 · Alexander Kroll, Martin K. M. Engqvist, et al. · PLoS Biology · 134
DLKcat cannot predict meaningful kcat values for mutants and unfamiliar enzymes
2024 · Alexander Kroll, Martin J Lercher · Biology Methods and Protocols · 49
A multimodal Transformer Network for protein-small molecule interactions enhances predictions of kinase inhibition and enzyme-substrate relationships
2024 · Alexander Kroll, Sahasra Ranjan, et al. · PLoS Computational Biology · 44
SPOT: A machine learning model that predicts specific substrates for transport proteins
2024 · Alexander Kroll, Nico Niebuhr, et al. · PLoS Biology · 30
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DeepMolecules: a web server for predicting enzyme and transporter–small molecule interactions
2025 · Alexander Kroll, Yvan Rousset, et al. · Nucleic Acids Research · 19
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Recent advances and future trends for protein–small molecule interaction predictions with protein language models
2025 · Alexander Kroll, Yvan Rousset · Current Opinion in Structural Biology · 12
Transfer learning improves predictions of enzyme kinetic parameters
2024 · Alexander Kroll · Chem Catalysis · 3
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Overcoming systematic data biases enables accurate prediction of enzyme k cat fold-changes for computational protein design
2026 · Yvan Rousset, Alexander Kroll, et al. · bioRxiv (Cold Spring Harbor Laboratory) · 1
FoldVision: A compute-efficient atom-level 3D protein encoder
2026 · Alexander Kroll, Shantanu Yadav, et al. · bioRxiv (Cold Spring Harbor Laboratory) · 1
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Dataset for manuscript "Turnover number predictions for kinetically uncharacterized enzymes using machine and deep learning"
2022 · Kroll, Alexander, Rousset, Yvan, et al. · Zenodo (CERN European Organization for Nuclear Research) · 1
Wie lassen sich die Substrate von Enzymen vorhersagen?
2026 · Alexander Kroll, Martin J. Lercher · BIOspektrum
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Dataset for GitHub repository of manuscript "A multimodal Transformer Network for protein-small molecule interactions enhances drug-target affinity and enzyme-substrate predictions"
2023 · Kroll, Alexander · Zenodo (CERN European Organization for Nuclear Research)
Works count: 23
Citation count: 710
H-index: 8
I10-index: 8
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