PyRod Enables Rational Homology Model‐based Virtual Screening Against MCHR1

por Schaller, David, Wolber, Gerhard
Publicado en Mol Inform (2020)

Ligand-guided homology modeling drives identification of novel histamine H3 receptor ligands

por Schaller, David, Hagenow, Stefanie, Stark, Holger, Wolber, Gerhard
Publicado en PLoS One (2019)

Complete Characterization of Incorrect Orthology Assignments in Best Match Graphs

por Schaller, David, Geiß, Manuela, Stadler, Peter F., Hellmuth, Marc
Publicado en J Math Biol (2021)

Systematic Data Mining Reveals Synergistic H3R/MCHR1 Ligands

por Schaller, David, Hagenow, Stefanie, Alpert, Gina, Naß, Alexandra, Schulz, Robert, Bermudez, Marcel, Stark, Holger, Wolber, Gerhard
Publicado en ACS Med Chem Lett (2017)

Catching a Moving Target: Comparative Modeling of Flaviviral NS2B-NS3 Reveals Small Molecule Zika Protease Inhibitors

por Pach, Szymon, Sarter, Tim M., Yousef, Rafe, Schaller, David, Bergemann, Silke, Arkona, Christoph, Rademann, Jörg, Nitsche, Christoph, Wolber, Gerhard
Publicado en ACS Med Chem Lett (2020)

From pairs of most similar sequences to phylogenetic best matches

por Stadler, Peter F., Geiß, Manuela, Schaller, David, López Sánchez, Alitzel, González Laffitte, Marcos, Valdivia, Dulce I., Hellmuth, Marc, Hernández Rosales, Maribel
Publicado en Algorithms Mol Biol (2020)