Associate Professor (Grade 9)
Research Interests: Bayesian methods and Bayesian nonparametrics, analysis of Markov models, and applications to biology and biophysics
Publications
Identifying microbial protease allergens through protein language model-guided homology
– Cell Syst
(2026)
101510
(doi: 10.1016/j.cels.2025.101510)
Protein language models uncover carbohydrate-active enzyme function in metagenomics.
– BMC Bioinformatics
(2025)
26,
285
(doi: 10.1186/s12859-025-06286-y)
The $\star $-edge-reinforced random walk
– Probability Theory and Related Fields
(2025)
193,
795
(doi: 10.1007/s00440-025-01426-0)
Transfer learning enables discovery of sub-micromolar antibacterials for ESKAPE pathogens from ultra-large chemical spaces.
– Chemical science
(2025)
16,
21518
(doi: 10.1039/d5sc03055b)
Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization
– Journal of Cheminformatics
(2024)
16,
115
(doi: 10.1186/s13321-024-00904-2)
Calibrated prediction of scarce adverse drug reaction labels with conditional neural processes
(2024)
(doi: 10.1101/2024.06.07.598036)
Tanimoto Random Features for Scalable Molecular Machine Learning
– ADVANCES IN NEURAL INFORMATION PROCESSING SYSTEMS 36 (NEURIPS 2023)
(2023)
36,
DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design.
– Journal of chemical information and modeling
(2022)
62,
3486
(doi: 10.1021/acs.jcim.1c01334)
Preclinical evaluation of (S)-[18F]GE387, a novel 18-kDa translocator protein (TSPO) PET radioligand with low binding sensitivity to human polymorphism rs6971
– Eur J Nucl Med Mol Imaging
(2021)
49,
S406
(doi: 10.1007/s00259-021-05495-w)
Perfect Sampling of the Posterior in the Hierarchical Pitman–Yor Process
– Bayesian Analysis
(2021)
17,
685
(doi: 10.1214/21-ba1269)
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