Publications

Nico Domschke, Bruno Schmidt, Thomas Gatter, Richard Golnik, Paul Eisenhuth, Fabian Liessmann, Jens Meiler, und Peter F Stadler. Crossover Operators for Molecular Graphs with an Application to Virtual Drug Screening. American Chemical Society (ACS), September 2024. [PUMA: Crossover Drug Graphs Molecular Operators Screening Virtual Xack Yaff] URL

Christoph Flamm, Stefan Müller, und Peter F. Stadler. Every atom-atom map can be explained by electron pushing diagrams. arXiv, 2023. [PUMA: 05C92 92E10 Biological Combinatorics FOS Mathematics Molecular Networks sciences yaff] URL

Sascha Mausenberger, Carolin Müller, Alexandre Tkatchenko, Philipp Marquetand, Leticia González, und Julia Westermayr. SpaiNN: equivariant message passing for excited-state nonadiabatic molecular dynamics. Chem. Sci., (15)38:15880-15890, The Royal Society of Chemistry, 2024. [PUMA: SpaiNN dynamics equivariant excited-state imported message molecular nonadiabatic passing yaff] URL

Souhrid Mukherjee, Thomas A. Cassini, Ningning Hu, Tao Yang, Bian Li, Wangzhen Shen, Christopher W. Moth, David C. Rinker, Jonathan H. Sheehan, Joy D. Cogan, John H. Newman, Rizwan Hamid, Robert L. Macdonald, Dan M. Roden, Jens Meiler, Georg Kuenze, John A. Phillips, und John A. Capra. Personalized structural biology reveals the molecular mechanisms underlying heterogeneous epileptic phenotypes caused by de novo KCNC2 variants. Human Genetics and Genomics Advances, (3)4:100131, 2022. [PUMA: topic_lifescience DEE, Diseases KCNC2, Network, Undiagnosed and biology, developmental disease dynamics electrophysiology, encephalopathy, epileptic interpretation, molecular personalized rare simulations, structural variant variant,] URL

Chiara Maria Lavinia Loeffler, Nadina Ortiz Bruechle, Max Jung, Lancelot Seillier, Michael Rose, Narmin Ghaffari Laleh, Ruth Knuechel, Titus J Brinker, Christian Trautwein, Nadine T Gaisa, und Jakob N Kather. Artificial intelligence-based detection of FGFR3 mutational status directly from routine histology in bladder cancer: A possible preselection for molecular testing?. Eur. Urol. Focus, (8)2:472--479, Elsevier BV, März 2022. [PUMA: topic_lifescience Artificial Bladder Deep FGFR3 Molecular cancer; factor fibroblast for growth intelligence; learning; mutations; receptor testing therapy]

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: topic_lifescience EPR Rosetta; biology; changes; conformational dynamics; integrative modeling; molecular protein refinement spectroscopy; structural structure]

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: topic_lifescience Rosetta; SCN5A; cardiac channels channels; docking; electrophysiology; molecular mutagenesis; site-directed sodium toxins; veratridine; voltage-gated]

Markus Kreuz, Dominik J Otto, Susanne Fuessel, Conny Blumert, Catharina Bertram, Sophie Bartsch, Dennis Loeffler, Sven-Holger Puppel, Michael Rade, Tilo Buschmann, Sabina Christ, Kati Erdmann, Maik Friedrich, Michael Froehner, Michael H Muders, Stephan Schreiber, Michael Specht, Marieta I Toma, Fabio Benigni, Massimo Freschi, Giorgio Gandaglia, Alberto Briganti, Gustavo B Baretton, Markus Loeffler, Jörg Hackermüller, Kristin Reiche, Manfred Wirth, und Friedemann Horn. ProstaTrend-A multivariable prognostic RNA expression score for aggressive prostate cancer. Eur. Urol., (78)3:452--459, Elsevier BV, September 2020. [PUMA: Biomarker; Molecular Next-generation Personalized Prostate Transcriptome cancer; diagnostic medicine; pathology; sequencing; testing;]

Julia Scheel, Matti Hoch, Markus Wolfien, und Shailendra Gupta. NaviCenta - The disease map for placental research. Placenta, (143):12--15, Elsevier BV, November 2023. [PUMA: topic_lifescience Molecular Networks Omics Systems analysis; biology integration; interaction map;]