Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES
Bjerrum, Esben Jannik, Margreitter, Christian, Blaschke, Thomas, Kolarova, Simona, de Castro, Raquel López-Ríos
Published in Journal of computer-aided molecular design (01.08.2023)
Published in Journal of computer-aided molecular design (01.08.2023)
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Journal Article
Topology-controlled self-assembly of amphiphilic block copolymers
López-Ríos de Castro, Raquel, Ziolek, Robert M, Lorenz, Christian D
Published in Nanoscale (29.09.2023)
Published in Nanoscale (29.09.2023)
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Journal Article
Lessons learned during the journey of data: from experiment to model for predicting kinase affinity, selectivity, polypharmacology, and resistance
López-Ríos de Castro, Raquel, Rodríguez-Guerra, Jaime, Schaller, David, Kimber, Talia B, Taylor, Corey, White, Jessica B, Backenköhler, Michael, Payne, Alexander, Kaminow, Ben, Pulido, Iván, Singh, Sukrit, Kramer, Paula Linh, Pérez-Hernández, Guillermo, Volkamer, Andrea, Chodera, John D
Published in bioRxiv (10.09.2024)
Published in bioRxiv (10.09.2024)
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Directly imaging emergence of phase separation in peroxidized lipid membranes
Paez-Perez, Miguel, Vyšniauskas, Aurimas, López-Duarte, Ismael, Lafarge, Eulalie J., López-Ríos De Castro, Raquel, Marques, Carlos M., Schroder, André P., Muller, Pierre, Lorenz, Christian D., Brooks, Nicholas J., Kuimova, Marina K.
Published in Communications chemistry (17.01.2023)
Published in Communications chemistry (17.01.2023)
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Journal Article
Structural basis for the rescue of hyperexcitable cells by the amyotrophic lateral sclerosis drug Riluzole
Hollingworth, David, Thomas, Frances, Page, Dana A., Fouda, Mohamed A., De Castro, Raquel Lopez-Rios, Sula, Altin, Mykhaylyk, Vitaliy B., Kelly, Geoff, Ulmschneider, Martin B., Ruben, Peter C., Wallace, B. A.
Published in Nature communications (28.09.2024)
Published in Nature communications (28.09.2024)
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Journal Article
TUNING PEPTIDES TO BIND TO THE AMYLOID PRECURSOR PROTEIN
Castro, Raquel Lopez-Rios De, Lorenz, Christian, Ulmschneider, Martin
Published in IBRO neuroscience reports (01.10.2023)
Published in IBRO neuroscience reports (01.10.2023)
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Journal Article
IN-SILICO AND IN-VITRO INVESTIGATION INTO THE SELECTIVE DELIVERY OF ACTIVE-COMPOUND LOADED NANOPARTICLES INTO GLIOMA CELLS AND THEIR TRANSCYTOSIS ACROSS THE BLOOD-BRAIN BARRIER
Kadri, Mahnoor, Castro, Raquel Lopez-Rios De, Lorenz, Christian, Ulmschneider, Martin
Published in IBRO neuroscience reports (01.10.2023)
Published in IBRO neuroscience reports (01.10.2023)
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Journal Article
Cancer-selective nanoparticle delivery for enhanced glioma therapy
Kadri, Mahnoor, Lopez-Rios de Castro, Raquel, Rahimi, Faraz, Ulmschneider, Martin
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
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