Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces

por Mortier, Jérémie, Dhakal, Pratik, Volkamer, Andrea
Publicado 2018

In silico virtual screening approaches for anti-viral drug discovery

por Murgueitio, Manuela S., Bermudez, Marcel, Mortier, Jérémie, Wolber, Gerhard
Publicado 2012

Balancing selectivity vs stability using molecular dynamics and umbrella sampling

por Mortier, Jeremie, Nyakatura, Elisabeth K, Miettinen, Markus, Baldauf, Carsten, Wolber, Gerhard, Koksch, Beate
Publicado 2014

Arginase Structure and Inhibition: Catalytic Site Plasticity Reveals New Modulation Possibilities

por Mortier, Jérémie, Prévost, Julien R. C., Sydow, Dominique, Teuchert, Sabine, Omieczynski, Christian, Bermudez, Marcel, Frédérick, Raphaël, Wolber, Gerhard
Publicado 2017

Prioritizing Small Sets of Molecules for Synthesis through in‐silico Tools: A Comparison of Common Ranking Methods

por Breznik, Marko, Ge, Yunhui, Bluck, Joseph P., Briem, Hans, Hahn, David F., Christ, Clara D., Mortier, Jérémie, Mobley, David L., Meier, Katharina
Publicado 2022

Discovery of Sanggenon G as a natural cell-permeable small-molecular weight inhibitor of X-linked inhibitor of apoptosis protein (XIAP)

por Seiter, Maximilian A., Salcher, Stefan, Rupp, Martina, Hagenbuchner, Judith, Kiechl-Kohlendorfer, Ursula, Mortier, Jérémie, Wolber, Gerhard, Rollinger, Judith M., Obexer, Petra, Ausserlechner, Michael J.
Publicado 2014

Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRAS(G12C)

por Mortier, Jérémie, Friberg, Anders, Badock, Volker, Moosmayer, Dieter, Schroeder, Jens, Steigemann, Patrick, Siegel, Franziska, Gradl, Stefan, Bauser, Marcus, Hillig, Roman C., Briem, Hans, Eis, Knut, Bader, Benjamin, Nguyen, Duy, Christ, Clara D.
Publicado 2020

Synthesis, crystallographic characterization, molecular docking and biological activity of isoquinoline derivatives

por Abuelizz, Hatem A., Al-Salahi, Rashad, Al-Asri, Jamil, Mortier, Jérémie, Marzouk, Mohamed, Ezzeldin, Essam, Ali, Azza A., Khalil, Mona G., Wolber, Gerhard, Ghabbour, Hazem A., Almehizia, Abdulrahman A., Abdel Jaleel, Gehad A.
Publicado 2017

Identification of Small Molecules that Modulate Mutant p53 Condensation

por Lemos, Clara, Schulze, Luise, Weiske, Joerg, Meyer, Hanna, Braeuer, Nico, Barak, Naomi, Eberspächer, Uwe, Werbeck, Nicolas, Stresemann, Carlo, Lange, Martin, Lesche, Ralf, Zablowsky, Nina, Juenemann, Katrin, Kamburov, Atanas, Luh, Laura Martina, Leissing, Thomas Markus, Mortier, Jeremie, Steckel, Michael, Steuber, Holger, Eis, Knut, Eheim, Ashley, Steigemann, Patrick
Publicado 2020