Publications

Yidan Tang, Rocco Moretti, and Jens Meiler. Recent Advances in Automated Structure-Based De Novo Drug Design. Journal of Chemical Information and Modeling, (64)6:1794–1805, American Chemical Society (ACS), March 2024. [PUMA: Advances De_Novo Drug_Design Recent Structure-Based imported xack automated] URL

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: VX-809 chaperones comparative computational cystic discovery disease drug fibrosis folding modeling pharmacological protein structure-based topic_lifescience zno]

Sarah Naomi Bolz, Sebastian Salentin, Gary Jennings, V Joachim Haupt, Jared Sterneckert, and Michael Schroeder. Structural binding site comparisons reveal Crizotinib as a novel LRRK2 inhibitor. Comput. Struct. Biotechnol. J., (19):3674--3681, Elsevier BV, June 2021. [PUMA: Binding Crizotinib Drug LRRK2 Protein-ligand Structure-based interactions repositioning screening site zno]

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: AlphaFold GPCR biased discovery drug library ligands structure-based topic_lifescience ultra-large zno]