From Bits to Bonds: High-Throughput Virtual Screening of Ribonucleic Acid Nanocarriers Using a Combinatorial Approach of Machine Learning and Molecular Dynamics

Felix Sieber-Schäfer; Jonas Binder; Tim Münchrath; Katharina M. Steinegger; Min Jiang; Benjamin Winkeljann; Wolfgang Friess; Olivia M. Merkel

doi:10.1021/jacs.5c12694

Journal of the American Chemical Society

From Bits to Bonds: High-Throughput Virtual Screening of Ribonucleic Acid Nanocarriers Using a Combinatorial Approach of Machine Learning and Molecular Dynamics

F Felix Sieber-Schäfer (Pharmaceutical Technology and Biopharmaceutics, Department of Pharmacy) J Jonas Binder (Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstraße 5, 81377 Munich, Germany) T Tim Münchrath (Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstraße 5, 81377 Munich, Germany) K Katharina M. Steinegger (Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstraße 5, 81377 Munich, Germany) M Min Jiang B Benjamin Winkeljann (Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstraße 5, 81377 Munich, Germany) W Wolfgang Friess (Department of Pharmacy, Ludwig-Maximilians-Universität München, Butenandtstraße 5, 81377 Munich, Germany) O Olivia M. Merkel (Center for NanoScience (CeNS))

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Article Details

Journal Journal of the American Chemical Society

Volume / Issue Vol. 147, Issue 49

Published December 10, 2025

Pages 44903-44915

DOI 10.1021/jacs.5c12694

ISSN 0002-7863

Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (8)

F

Felix Sieber-Schäfer

Pharmaceutical Technology and Biopharmaceutics, Department of Pharmacy

J

Jonas Binder