Publications

Eric W Bell, Benjamin P Brown, und Jens Meiler. FakeRotLib: expedient non-canonical amino acid parameterization in Rosetta. Cold Spring Harbor Laboratory, März 2025. [PUMA: FakeRotLib Rosetta nopdf xack] URL

Hope Woods, Dominic L Schiano, Jonathan I Aguirre, Kaitlyn V Ledwitch, Eli F McDonald, Markus Voehler, Jens Meiler, und Clara T Schoeder. Computational modeling and prediction of deletion mutants. Structure, (31)6:713--723.e3, Elsevier BV, Juni 2023. [PUMA: AlphaFold Deletion Modeling NMR Rosetta SAM domain indel mutation zno]

Paul Eisenhuth, Fabian Liessmann, Rocco Moretti, und 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

Moritz Ertelt, Jens Meiler, und Clara T Schoeder. Combining Rosetta Sequence Design with Protein Language Model Predictions Using Evolutionary Scale Modeling (ESM) as Restraint. ACS Synthetic Biology, (13)4:1085--1092, ACS Publications, 2024. [PUMA: ESM combining design protein rosetta sequence topic_lifescience yaff xack]

Davide Sala, Diego Del Alamo, Hassane S Mchaourab, und Jens Meiler. Modeling of protein conformational changes with Rosetta guided by limited experimental data. Structure, (30)8:1157--1168.e3, Elsevier BV, August 2022. [PUMA: EPR Rosetta biology changes conformational dynamics integrative modeling molecular protein refinement spectroscopy structural structure topic_lifescience zno]

Pranav Kodali, Clara T Schoeder, Samuel Schmitz, James E Crowe, Jr, und Jens Meiler. RosettaCM for antibodies with very long HCDR3s and low template availability. Proteins, (89)11:1458--1472, Wiley, November 2021. [PUMA: Rosetta antibody benchmark homology loop modeling prediction structure topic_lifescience zno]

Alican Gulsevin, Andrew M Glazer, Tiffany Shields, Brett M Kroncke, Dan M Roden, und Jens Meiler. Veratridine can bind to a site at the mouth of the channel pore at human cardiac sodium channel NaV1.5. Int. J. Mol. Sci., (23)4:2225, MDPI AG, Februar 2022. [PUMA: Rosetta SCN5A cardiac channels docking electrophysiology molecular mutagenesis site-directed sodium topic_lifescience toxins veratridine voltage-gated zno]

Samuel Schmitz, Emily A Schmitz, James E Crowe, Jr, und Jens Meiler. The human antibody sequence space and structural design of the V, J regions, and CDRH3 with Rosetta. MAbs, (14)1:2068212, Informa UK Limited, Januar 2022. [PUMA: Human-likeness HumanizationABBREVIATIONS antibody biostatistics design immunome repertoire rosetta topic_lifescience zno]

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

Kaitlyn V Ledwitch, Georg Künze, Jacob R McKinney, Elleansar Okwei, Katherine Larochelle, Lisa Pankewitz, Soumya Ganguly, Heather L Darling, Irene Coin, und Jens Meiler. Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction. J. Biomol. NMR, (77)3:69--82, Juni 2023. [PUMA: (IMPs) (PCSs) (ncAAs) Click Integral Non-canonical Pseudocontact Rosetta Structure acids amino chemistry membrane prediction proteins shifts topic_lifescience zno]