Novel multi-objective affinity approach allows to identify pH-specific μ-opioid receptor agonists by Christopher Secker, Konstantin Fackeldey, Marcus Weber, Sourav Ray, Christoph Gorgulla, Christof Schütte

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VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization by Christoph Gorgulla, Süleyman Selim Çınaroğlu, Patrick D. Fischer, Konstantin Fackeldey, Gerhard Wagner, Haribabu Arthanari

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Non-covalent SARS-CoV-2 Mpro inhibitors developed from in silico screen hits by Giacomo G. Rossetti, Marianna A. Ossorio, Stephan Rempel, Annika Kratzel, Vasilis S. Dionellis, Samia Barriot, Laurence Tropia, Christoph Gorgulla, Haribabu Arthanari, Volker Thiel, Peter Mohr, Remo Gamboni, Thanos D. Halazonetis

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A small molecule exerts selective antiviral activity by targeting the human cytomegalovirus nuclear egress complex. by Han Chen, Ming F Lye, Christoph Gorgulla, Scott B Ficarro, Gregory D Cuny, David A Scott, Fan Wu, Paul W Rothlauf, Xiaoou Wang, Rosio Fernandez, Jean M Pesola, Sorin Draga, Jarrod A Marto, James M Hogle, Haribabu Arthanari, Donald M Coen

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A multi-pronged approach targeting SARS-CoV-2 proteins using ultra-large virtual screening by Christoph Gorgulla, Krishna M. Padmanabha Das, Kendra E. Leigh, Marco Cespugli, Patrick D. Fischer, Zi-Fu Wang, Guilhem Tesseyre, Shreya Pandita, Alec Shnapir, Anthony Calderaio, Minko Gechev, Alexander Rose, Noam Lewis, Colin Hutcheson, Erez Yaffe, Roni Luxenburg, Henry D. Herce, Vedat Durmaz, Thanos D. Halazonetis, Konstantin Fackeldey, J.J. Patten, Alexander Chuprina, Igor Dziuba, Alla Plekhova, Yurii Moroz, Dmytro Radchenko, Olga Tarkhanova, Irina Yavnyuk, Christian Gruber, Ryan Yust, Dave Payne, Anders M. Näär, Mark N. Namchuk, Robert A. Davey, Gerhard Wagner, Jamie Kinney, Haribabu Arthanari

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