Publications

Fabian Liessmann, Lukas von Bredow, Jens Meiler, and rahm Liebscher, Ines. Targeting adhesion G protein-coupled receptors. Current status and future perspectives. Structure, Elsevier, November 2024. [PUMA: topic_lifescience ADGRG1; ADGRG2; ADGRG3; ADGRG5; ADGRG6; ADGRG7; GPCRs; GPR114; GPR126; GPR128; GPR56; GPR64; GPR97; adhesion area_bigdata discovery; drug ep ligands; molecules; small structure]

Eli Fritz McDonald, Hope Woods, Shannon T Smith, Minsoo Kim, Clara T Schoeder, Lars Plate, and Jens Meiler. Structural comparative modeling of multi-domain F508del CFTR. Biomolecules, (12)3:471, MDPI AG, March 2022. [PUMA: topic_lifescience VX-809; chaperones; comparative computational cystic discovery disease; drug fibrosis; folding modeling; pharmacological protein structure-based]

Benjamin P Brown, Oanh Vu, Alexander R Geanes, Sandeepkumar Kothiwale, Mariusz Butkiewicz, Edward W Lowe, Jr, Ralf Mueller, Richard Pape, Jeffrey Mendenhall, and Jens Meiler. Introduction to the BioChemical Library (BCL): An application-based open-source toolkit for integrated cheminformatics and machine learning in computer-aided drug discovery. Front. Pharmacol., (13):833099, Frontiers Media SA, February 2022. [PUMA: topic_lifescience BCL; QSAR; biochemical cheminformatics; deep design; discovery; drug library; network; neural open-source]

Fabian Liessmann, Georg Künze, and Jens Meiler. Improving the modeling of extracellular ligand binding pockets in RosettaGPCR for conformational selection. Int. J. Mol. Sci., (24)9April 2023. [PUMA: topic_lifescience Rosetta; RosettaGPCR; discovery; docking; drug homology ligand modeling; pocket refinement]

D Sala, H Batebi, K Ledwitch, P W Hildebrand, and J Meiler. Targeting in silico GPCR conformations with ultra-large library screening for hit discovery. Trends Pharmacol. Sci., (44)3:150--161, Elsevier BV, March 2023. [PUMA: topic_lifescience AlphaFold; GPCR; biased discovery; drug library ligands; structure-based ultra-large]