Publications

Paul Eisenhuth, Fabian Liessmann, Rocco Moretti, and Jens Meiler. Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd). Communications Chemistry, (8)1:335, Nov 7, 2025. [PUMA: REvoLd Rosetta library screening xack yaff] URL

Paul Eisenhuth, Fabian Liessmann, Rocco Moretti, and Jens Meiler. REvoLd: Ultra-Large Library Screening with an Evolutionary Algorithm in Rosetta. 2024. [PUMA: Algorithm Evolutionary Library REvoLd Rosetta Screening Ultra-Large imported nopdf] URL

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: BCL QSAR biochemical_cheminformatics deep_design discovery drug library network neural open-source topic_lifescience 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]