High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks

por Mason, Jonathan S, Bortolato, Andrea, Weiss, Dahlia R, Deflorian, Francesca, Tehan, Benjamin, Marshall, Fiona H
Publicado 2013

Selectivity Challenges in Docking Screens for GPCR Targets and Antitargets

por Weiss, Dahlia R., Karpiak, Joel, Huang, Xi-Ping, Sassano, Maria F., Lyu, Jiankun, Roth, Bryan L., Shoichet, Brian K.
Publicado 2018

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor

por Weiss, Dahlia R., Ahn, SeungKirl, Sassano, Maria F., Kleist, Andrew, Zhu, Xiao, Strachan, Ryan, Roth, Bryan L., Lefkowitz, Robert J., Shoichet, Brian K.
Publicado 2013

Structure-based discovery of selective positive allosteric modulators of antagonists for the M(2) muscarinic acetylcholine receptor

por Korczynska, Magdalena, Clark, Mary J., Valant, Celine, Xu, Jun, Moo, Ee Von, Albold, Sabine, Weiss, Dahlia R., Torosyan, Hayarpi, Huang, Weijiao, Kruse, Andrew C., Lyda, Brent R., May, Lauren T., Baltos, Jo-Anne, Sexton, Patrick M., Kobilka, Brian K., Christopoulos, Arthur, Shoichet, Brian K., Sunahara, Roger K.
Publicado 2018