A model integration approach linking signalling and gene-regulatory logic with kinetic metabolic models. - Anke Ryll; Joachim Bucher; Anne Bonin; Sophia Bongard; Emanuel J. V. Gonçalves; Julio Saez-Rodriguez; Jens Niklas; Steffen Klamt (Biosyst., 2014)

Ensemble completeness in conformer sampling: the case of small macrocycles. - Lea Seep; Anne Bonin; Katharina Meier; Holger Diedam; Andreas H. Göller (J. Cheminformatics, 2021)

pH-dependent solubility prediction for optimized drug absorption and compound uptake by plants. - Anne Bonin; Floriane Montanari; Sebastian Niederführ; Andreas H. Göller (J. Comput. Aided Mol. Des., 2023)

Predicting absolute aqueous solubility by applying a machine learning model for an artificially liquid-state as proxy for the solid-state. - Sadra Kashef Ol Gheta; Anne Bonin; Thomas Gerlach; Andreas H. Göller (J. Comput. Aided Mol. Des., 2023)