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1A genome-wide scan of wastewater E. coli for genes under positive selection: focusing on mechanisms of antibiotic resistance
N. Malekian, A. Agrawal, T. Berendonk, A. Al-Fatlawi, and M. Schroeder. Scientific Reports, (May 2022)
4 days ago by @scadsfct
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1Word-based GWAS harnesses the rich potential of genomic data for E. coli quinolone resistance
N. Malekian, S. Sainath, A. Al-Fatlawi, and M. Schroeder. Frontiers in Microbiology, (December 2023)
4 days ago by @scadsfct
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1A community effort in SARS‐CoV‐2 drug discovery
J. Schimunek, P. Seidl, K. Elez, T. Hempel, T. Le, F. Noé, S. Olsson, L. Raich, R. Winter, H. Gokcan and 142 other author(s). Molecular Informatics, (November 2023)
4 days ago by @scadsfct
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1An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds
P. Schake, K. Dishnica, F. Kaiser, C. Leberecht, V. Haupt, and M. Schroeder. Scientific Reports, (June 2023)
4 days ago by @scadsfct
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1Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening
M. Adasme, S. Bolz, A. Al-Fatlawi, and M. Schroeder. Journal of Cheminformatics, (March 2022)
4 days ago by @scadsfct
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1Targeting ion channels with ultra-large library screening for hit discovery
K. Melancon, P. Pliushcheuskaya, J. Meiler, and G. Künze. Frontiers in Molecular Neuroscience, (January 2024)
4 days ago by @scadsfct
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1Ferric reduction by a CYBDOM protein counteracts increased iron availability in root meristems induced by phosphorus deficiency
R. Maniero, C. Picco, A. Hartmann, F. Engelberger, A. Gradogna, J. Scholz-Starke, M. Melzer, G. Künze, A. Carpaneto, N. von Wirén and 1 other author(s). Nature Communications, (January 2024)
4 days ago by @scadsfct
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1Similar Binding Modes of cGMP Analogues Limit Selectivity in Modulating Retinal CNG Channels via the Cyclic Nucleotide-Binding Domain
P. Pliushcheuskaya, S. Kesh, E. Kaufmann, S. Wucherpfennig, F. Schwede, G. Künze, and V. Nache. ACS Chemical Neuroscience, 15 (8): 1652–1668 (April 2024)
4 days ago by @scadsfct
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1Structural Studies on the Binding Mode of Bisphenols to PPARγ
A. Useini, I. Schwerin, G. Künze, and N. Sträter. Biomolecules, 14 (6): 640 (May 2024)
4 days ago by @scadsfct
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1Pushing Optimal ABox Repair from ℰℒ Towards More Expressive Horn-DLs (Extended Version)
F. Baader, and F. Kriegel. LTCS-Report, 22-02. Chair of Automata Theory, Institute of Theoretical Computer Science, Technische Universität Dresden, Dresden, Germany, (2022)
4 days ago by @scadsfct
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1Combining Rosetta Sequence Design with Protein Language Model Predictions Using Evolutionary Scale Modeling (ESM) as Restraint
M. Ertelt, J. Meiler, and C. Schoeder. ACS Synthetic Biology, 13 (4): 1085--1092 (2024)
4 days ago by @scadsfct
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1MutationExplorer: a webserver for mutation of proteins and 3D visualization of energetic impacts
M. Philipp, C. Moth, N. Ristic, J. Tiemann, F. Seufert, A. Panfilova, J. Meiler, P. Hildebrand, A. Stein, D. Wiegreffe and 1 other author(s). Nucleic Acids Research, (2024)
4 days ago by @scadsfct
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3d
mutation
mutationexplorer
proteins
webserver
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1Backbone chemical shift and secondary structure assignments for mouse siderocalin
J. Moeller, N. Bozhanova, M. Voehler, J. Meiler, and C. Schoeder. Biomolecular NMR Assignments, 18 (1): 79--84 (2024)
4 days ago by @scadsfct
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1Modifying immune responses to adeno-associated virus vectors by capsid engineering
M. Bentler, R. Hardet, M. Ertelt, D. Rudolf, D. Kaniowska, A. Schneider, F. Vondran, C. Schoeder, M. Delphin, J. Lucifora and 1 other author(s). Molecular Therapy-Methods & Clinical Development, (2023)
4 days ago by @scadsfct
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2Modeling conformational states of proteins with AlphaFold
D. Sala, F. Engelberger, H. Mchaourab, and J. Meiler. Current Opinion in Structural Biology, (2023)
4 days ago by @scadsfct
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alphafold
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1Content-adaptive generation and parallel compositing of volumetric depth images for responsive visualization of large volume data
A. Gupta, P. Incardona, P. Hunt, G. Reina, S. Frey, S. Gumhold, U. Günther, and I. Sbalzarini. (June 2022)
9 days ago by @scadsfct
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1Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences
D. Alamo, J. Meiler, and H. Mchaourab. (May 2022)
9 days ago by @scadsfct
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1Genomic events stratifying prognosis of early gastric cancer
C. Molinari, L. Solaini, F. Rebuzzi, G. Tedaldi, D. Angeli, E. Petracci, D. Prascevic, J. Ewald, E. Rahm, M. Canale and 9 other author(s). Gastric Cancer, 27 (6): 1189--1200 (November 2024)
11 days ago by @scadsfct
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area_bigdata
Prognosis
Pen;
EGC;
ARID1A
LRP1B
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1Federated Learning on Transcriptomic Data: Model Quality and Performance Trade-Offs
A. Hannemann, J. Ewald, L. Seeger, and E. Buchmann. Computational Science – ICCS 2024: 24th International Conference, Malaga, Spain, July 2–4, 2024, Proceedings, Part IV, page 279–293. Berlin, Heidelberg, Springer-Verlag, (2024)
11 days ago by @scadsfct
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Cell
Classification,
Disease
Federated
Learning,
Prognosis
Type
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1SetQuence & SetOmic: Deep Set Transformer-based Representations of Cancer Multi-Omics
N. Jurenaite, D. León-Periñán, V. Donath, S. Torge, and R. Jäkel. 2022 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), page 1-9. (August 2022)
a month ago by @scadsfct
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publications (hide)259
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1A genome-wide scan of wastewater E. coli for genes under positive selection: focusing on mechanisms of antibiotic resistance

1Word-based GWAS harnesses the rich potential of genomic data for E. coli quinolone resistance

1A community effort in SARS‐CoV‐2 drug discovery

1An interaction-based drug discovery screen explains known SARS-CoV-2 inhibitors and predicts new compound scaffolds

1Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening

1Targeting ion channels with ultra-large library screening for hit discovery

1Ferric reduction by a CYBDOM protein counteracts increased iron availability in root meristems induced by phosphorus deficiency

1Similar Binding Modes of cGMP Analogues Limit Selectivity in Modulating Retinal CNG Channels via the Cyclic Nucleotide-Binding Domain

1Structural Studies on the Binding Mode of Bisphenols to PPARγ

1Pushing Optimal ABox Repair from ℰℒ Towards More Expressive Horn-DLs (Extended Version)

1Combining Rosetta Sequence Design with Protein Language Model Predictions Using Evolutionary Scale Modeling (ESM) as Restraint

1MutationExplorer: a webserver for mutation of proteins and 3D visualization of energetic impacts

1Backbone chemical shift and secondary structure assignments for mouse siderocalin

1Modifying immune responses to adeno-associated virus vectors by capsid engineering

2Modeling conformational states of proteins with AlphaFold

1Content-adaptive generation and parallel compositing of volumetric depth images for responsive visualization of large volume data

1Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences

1Genomic events stratifying prognosis of early gastric cancer

1Federated Learning on Transcriptomic Data: Model Quality and Performance Trade-Offs

1SetQuence & SetOmic: Deep Set Transformer-based Representations of Cancer Multi-Omics

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