Fast-NPS - A Markov Chain Monte Carlo-based analysis tool to obtain structural information from single-molecule FRET measurements. - Tobias Eilert; Maximilian Beckers; Florian Drechsler; Jens Michaelis (Comput. Phys. Commun., 2017)

Statistical Inference of cryo-EM Maps - Maximilian Beckers (2020)

25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution. - Maximilian Beckers; Nikolas Fechner; Nikolaus Stiefl (J. Chem. Inf. Model., 2022)

SIMPD: an algorithm for generating simulated time splits for validating machine learning approaches. - Gregory A. Landrum; Maximilian Beckers; Jessica Lanini; Nadine Schneider; Nikolaus Stiefl; Sereina Riniker (J. Cheminformatics, 2023)

Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization. - Maximilian Beckers; Finton Sirockin; Nikolas Fechner; Nikolaus Stiefl (J. Chem. Inf. Model., 2024)