Publications

Gaia Olcese, Paul D Bates, Jeffrey C Neal, Christopher C Sampson, Oliver E J Wing, Niall Quinn, Callum J R Murphy-Barltrop, und Izzy Probyn. Developing a Fluvial and Pluvial Stochastic Flood Model of Southeast Asia. Water Resources Research, (60 (2024))6Blackwell, 03.06.2024. [PUMA: FIS_scads topic_mathfoundation zno]

Maksim Kukushkin, Martin Bogdan, und Thomas Schmid. BiMAE - A Bimodal Masked Autoencoder Architecture for Single-Label Hyperspectral Image Classification. IEEE/CVF Conference on Computer Vision and Pattern Recognition, CVPR 2024 - Workshops, Seattle, WA, USA, June 17-18, 2024, 2987--2996, IEEE, 2024. [PUMA: area_bigdata ep imported topic_neuroinspired zno]

Sherif Sakr, Angela Bonifati, Hannes Voigt, Alexandru Iosup, Khaled Ammar, Renzo Angles, Walid Aref, Marcelo Arenas, Maciej Besta, Peter A. Boncz, Khuzaima Daudjee, Emanuele Della Valle, Stefania Dumbrava, Olaf Hartig, Bernhard Haslhofer, Tim Hegeman, Jan Hidders, Katja Hose, Adriana Iamnitchi, Vasiliki Kalavri, Hugo Kapp, Wim Martens, M. Tamer Özsu, Eric Peukert, Stefan Plantikow, Mohamed Ragab, Matei R. Ripeanu, Semih Salihoglu, Christian Schulz, Petra Selmer, Juan F. Sequeda, Joshua Shinavier, G'abor Sz'arnyas, Riccardo Tommasini, Antonino Tumeo, Alexandru Uta, Ana Lucia Varbanescu, Hsiang-Yun Wu, Nikolay Yakovets, Da Yan, und Eiko Yoneki. The future is big graphs: a community view on graph processing systems. 2021. [PUMA: area_bigdata topic_graph zno]

Felix Meyer, Benjamin Hernandez, Richard Pausch, René Widera, David Groß, Sergei Bastrakov, Axel Huebl, Guido Juckeland, Jeffrey Kelling, Matt Leinhauser, und others. Hardware-Agnostic Interactive Exascale In Situ Visualization of Particle-In-Cell Simulations. Proceedings of the Platform for Advanced Scientific Computing Conference, 1--14, 2023. [PUMA: imported zno]

Nishant Kumar, Lukas Krause, Thomas Wondrak, Sven Eckert, Kerstin Eckert, und Stefan Gumhold. Learning to reconstruct the bubble distribution with conductivity maps using Invertible Neural Networks and Error Diffusion. arXiv preprint arXiv:2307.02496, 2023. [PUMA: imported topic_visualcomputing zno]

Benjamin P. Brown, Jeffrey Mendenhall, Alexander R. Geanes, und Jens Meiler. General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps. Journal of Chemical Information and Modeling, (61)2:603–620, American Chemical Society (ACS), Januar 2021. [PUMA: imported topic_lifescience zno] URL

Edward W. Lowe, Alysia Ferrebee, Alice L. Rodriguez, P. Jeffrey Conn, und Jens Meiler. 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators. Bioorganic & Medicinal Chemistry Letters, (20)19:5922–5924, Elsevier BV, Oktober 2010. [PUMA: imported topic_lifescience zno] URL

Jeffrey Mendenhall, und Jens Meiler. Improving quantitative structure–activity relationship models using Artificial Neural Networks trained with dropout. Journal of Computer-Aided Molecular Design, (30)2:177–189, Springer Science and Business Media LLC, Februar 2016. [PUMA: imported topic_lifescience zno] URL

Oanh Vu, Jeffrey Mendenhall, Doaa Altarawy, und Jens Meiler. BCL::Mol2D—a robust atom environment descriptor for QSAR modeling and lead optimization. Journal of Computer-Aided Molecular Design, (33)5:477–486, Springer Science and Business Media LLC, April 2019. [PUMA: imported topic_lifescience zno] URL

Diego del Alamo, Davide Sala, Hassane S. Mchaourab, und Jens Meiler. Sampling the conformational landscapes of transporters and receptors with AlphaFold2. Cold Spring Harbor Laboratory, November 2021. [PUMA: imported topic_lifescience zno] URL

Alexander R. Geanes, Hykeyung P. Cho, Kellie D. Nance, Kevin M. McGowan, P. Jeffrey Conn, Carrie K. Jones, Jens Meiler, und Craig W. Lindsley. Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes. Bioorganic & Medicinal Chemistry Letters, (26)18:4487–4491, Elsevier BV, September 2016. [PUMA: imported topic_lifescience zno] URL

Jens Meiler, und David Baker. Coupled prediction of protein secondary and tertiary structure. Proceedings of the National Academy of Sciences, (100)21:12105–12110, Proceedings of the National Academy of Sciences, Oktober 2003. [PUMA: imported topic_lifescience zno] URL

Louisa Gonzalez Somermeyer, Aubin Fleiss, Alexander S. Mishin, Nina G. Bozhanova, Anna A. Igolkina, Jens Meiler, Maria-Elisenda Alaball Pujol, Ekaterina V. Putintseva, Karen S. Sarkisyan, und Fyodor A. Kondrashov. Heterogeneity of the GFP fitness landscape and data-driven protein design. Cold Spring Harbor Laboratory, Dezember 2021. [PUMA: imported topic_lifescience zno] URL

Jens Meiler, und Martin Will. Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks. Journal of Chemical Information and Computer Sciences, (41)6:1535–1546, American Chemical Society (ACS), Oktober 2001. [PUMA: imported topic_lifescience zno] URL

Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, und Jens Meiler. Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles. Molecules, (22)9:1576, MDPI AG, September 2017. [PUMA: imported topic_lifescience zno] URL

Vladimir Golkov, Alexander Becker, Daniel T. Plop, Daniel Čuturilo, Neda Davoudi, Jeffrey Mendenhall, Rocco Moretti, Jens Meiler, und Daniel Cremers. Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions. arXiv, 2020. [PUMA: imported topic_lifescience zno] URL

Saksham Phul, Georg Kuenze, Carlos G. Vanoye, Charles R. Sanders, Alfred L. George, und Jens Meiler. Predicting the Functional Impact of KCNQ1 Variants with Artificial Neural Networks. Cold Spring Harbor Laboratory, Dezember 2021. [PUMA: imported topic_lifescience zno] URL

Sam DeLuca, und Jens Meiler. A Novel Method for Guiding Protein-Ligand Docking with QSAR-Derived Pharmacophore Maps. Biophysical Journal, (100)3:394a–395a, Elsevier BV, Februar 2011. [PUMA: imported topic_lifescience zno] URL

Jens Meiler, Walter Maier, Martin Will, und Reinhard Meusinger. Using Neural Networks for 13C NMR Chemical Shift Prediction–Comparison with Traditional Methods. Journal of Magnetic Resonance, (157)2:242–252, Elsevier BV, August 2002. [PUMA: imported topic_lifescience zno] URL

Charles P. Kuntz, Hope Woods, Andrew G. McKee, Nathan B. Zelt, Jeffrey L. Mendenhall, Jens Meiler, und Jonathan P. Schlebach. Towards Generalizable Predictions for the Effects of Mutations on G-Protein Coupled Receptor Expression. Cold Spring Harbor Laboratory, Dezember 2021. [PUMA: imported topic_lifescience zno] URL