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University of Groningenfounded in 1614  -  top 100 university
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Publications

Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocol

In silico prediction of endocrine activity

In Search of Beautiful Molecules: A Perspective on Generative Modeling for Drug Design

Integrating Machine Learning into Free Energy Perturbation Workflows

Nitrogen-Walk Approach to Explore Bioisosteric Replacements in a Series of Potent A2B Adenosine Receptor Antagonists