Projects
Projects as Member
Publications
2023
AI-guided pipeline for protein-protein interaction drug discovery identifies a SARS-CoV-2 inhibitor
bioRxiv, 2023
Philipp Trepte, Christopher Secker, Simona Kostova, Sibusiso B. Maseko, Soon Gang Choi, Jeremy Blavier, Igor Minia, Eduardo Silva Ramos, Patricia Cassonnet, Sabrina Golusik, Martina Zenkner, Stephanie Beetz, Mara J. Liebich, Nadine Scharek, Anja Schütz, Marcel Sperling, Michael Lisurek, Yang Wang, Kerstin Spirohn, Tong Hao, Michael A. Calderwood, David E. Hill, Markus Landthaler, Julien Olivet, Jean-Claude Twizere, Marc Vidal, Erich E. Wanker
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DOI
Secker, Dr. Christopher
BibTeX
DOI
Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists
Journal of Cheminformatics, Vol.15, 2023
Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte
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DOI
Secker, Dr. Christopher
DOI
VirtualFlow 2.0 - The Next Generation Drug Discovery Platform Enabling Adaptive Screens of 69 Billion Molecules
bioRxiv, 2023 (preprint available as )
Christoph Gorgulla, AkshatKumar Nigam, Matt Koop, Süleyman Selim Çınaroğlu, Christopher Secker, Mohammad Haddadnia, Abhishek Kumar, Yehor Malets, Alexander Hasson, Minkai Li, Ming Tang, Roni Levin-Konigsberg, Dmitry Radchenko, Aditya Kumar, Minko Gehev, Pierre-Yves Aquilanti, Henry Gabb, Amr Alhossary, Gerhard Wagner, Alán Aspuru-Guzik, Yurii S. Moroz, Konstantin Fackeldey, Haribabu Arthanari
BibTeX
DOI
Secker, Dr. Christopher
DOI