Publications

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For a more up-to-date list, see my Google Scholar

k-Nearest Neighbour Adaptive Sampling (kNN-AS), a Simple Tool to Efficiently Explore Conformational Space
E Rovers, A Thudi, CJ Maddison, M Schapira
bioRxiv, 2025
link to paper

MixMin: Finding Data Mixtures via Convex Minimization
A Thudi, E Rovers, Y Ruan, T Thrush, CJ Maddison
ICML, 2025
link to paper

Benchmarking methods for PROTAC ternary complex structure prediction
E Rovers, M Schapira
Journal of Chemical Information and Modeling, 2024
link to paper

Methods for computer-assisted PROTAC design
E Rovers M Schapira
Methods in Enzymology, 2023
link to paper

ChemBioPort: an online portal to navigate the structure, function and chemical inhibition of the human proteome
L Liu, E Rovers, M Schapira
Database, 2022
link to paper

ProxyBind: A compendium of binding sites for proximity-induced pharmacology
E Rovers, L Liu, M Schapira
Computational and Structural Biotechnology, 2022
link to paper