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Chemical Science|August 30, 2024
PILOT: equivariant diffusion for pocket-conditioned <i>de novo</i> ligand generation with multi-objective guidance <i>via</i> importance samplingJulian Cremer, Tuan Le, Frank Noé, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|January 4, 2022
Thermoresponsive Microgel-Based Free-Standing Membranes: Influence of Different Microgel Cross-Linkers on Membrane FunctionMaxim Dirksen, Pascal Fandrich, Lukas Goett-Zink, et al.
Chemical Research in Toxicology|September 10, 2023
Equivariant Graph Neural Networks for Toxicity PredictionJulian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, et al.
Arxiv|November 19, 2025
Flowr.root - A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
Nature Computational Science|May 28, 2026
FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generationJulian Cremer, Ross Irwin, Alessandro Tibo, et al.
ACS Applied Materials & Interfaces|October 18, 2022
Pd Nanoparticle-Loaded Smart Microgel-Based Membranes as Reusable CatalystsViktor Sabadasch, Maxim Dirksen, Pascal Fandrich, et al.
Nature Communications|July 6, 2026
FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity predictionJulian Cremer, Tuan Le, Mohammad M Ghahremanpour, et al.
ACS Applied Materials & Interfaces|August 16, 2023
Scalable Synthesis of Carbon Nanomembranes from Amorphous Molecular LayersZhen Yao, Nikolaus Meyerbröker, Yubo Qi, et al.
Microorganisms|September 23, 2022
Magnetron Sputtering of Transition Metals as an Alternative Production Means for Antibacterial SurfacesBernhard Peter Kaltschmidt, Ehsan Asghari, Annika Kiel, et al.
Polymers|March 11, 2023
Aging of Industrial Polypropylene Surfaces in Detergent Solution and Its Consequences for Biofilm FormationJulian Cremer, Bernhard P Kaltschmidt, Annika Kiel, et al.
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