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Publications

Publications from the Kohlbacher lab, sorted by year and author.

2017

[260] Vizcaíno, JA, Walzer, M, Jiménez, RC, Bittremieux, W, Bouyssie, D, Carapito, C, Corrales, F, Ferro, M, Heck, AJR, Horvatovich, P, Hubalek, M, Lane, L, Laukens, K, Levander, F, Lisacek, F, Novak, P, Palmblad, M, Piovesan, D, Pühler, A, Schwämmle, V, Valkenborg, D, van Rijswijk, M, Vondrasek, J, Eisenacher, M, Martens, L, and Kohlbacher, O (2017).
A community proposal to integrate proteomics activities in ELIXIR
F1000Research, 6:875.

2016

[259] Aebersold, R, Kohlbacher, O, and Vitek, O (2016).
Computational Mass Spectrometry (Dagstuhl Seminar 15351)
Dagstuhl Reports, 5(8):9–33.

[258] Boyles, M, Ranninger, C, Reischl, R, Rurik, M, Tessadri, R, Kohlbacher, O, Duschl, A, and Huber, C (2016).
Copper oxide nanoparticle toxicity profiling using untargeted metabolomics
Part. Fiber Toxicol., 13:49.

[257] Breckels, LM, Holden, S, Wojnar, D, Mulvey, CM, Christoforou, A, Groen, A, Kohlbacher, O, Lilley, KS, and Gatto, L (2016).
Learning from Heterogeneous Data Sources: An Application in Spatial Proteomics
PLoS Comput. Biol., 12(5):e1004920.

[256] Dammeier, S, Nahnsen, S, Veit, J, Wehner, F, Ueffing, M, and Kohlbacher, O (2016).
Mass Spectrometry-based Proteomics Reveals Organspecific Expression Patterns To Be Used as Forensic Evidence
J. Proteome Res., 15(1):182-92.

[255] de la Garza, L, Aicheler, F, and Kohlbacher, O (2016).
From the Desktop to the Grid and Cloud: Conversion of KNIME Workflows to gUSE
Proc. Int. Workshop Science Gateways (IWSG 2016).

[254] de la Garza, L, Veit, J, Szolek, A, Röttig, M, Aiche, S, Gesing, S, Reinert, K, and Kohlbacher, O (2016).
From the Desktop to the Grid: scalable Bioinformatics via Workflow Conversion
BMC Bioinformatics, 17(1):127.

[253] Dietsche, T, Mebrhatu, MT, Brunner, MJ, Abrusci, P, Yan, J, Franz-Wachtel, M, Schärfe, C, Zilkenat, S, Grin, I, Galán, JE, Kohlbacher, O, Lea, S, Macek, B, Marlovits, TC, Robinson, C, and Wagner, S (2016).
Structural and functional characterization of the bacterial type III secretion export apparatus
PLoS Pathogens, 12(12):e1006071. .

[252] Gatto, L, Hansen, K, Hoopmann, M, Hermjakob, H, Kohlbacher, O, and Beyer, A (2016).
Testing and validation of computational methods for mass spectrometry
J. Proteome Res., 15(3):809-14.

[251] Griss, J, Perez-Riverol, Y, Lewis, S, Tabb, DL, Dianes, JA, del-Toro, N, Rurik, M, Walzer, MM, Kohlbacher, O, Hermjakob, H, Wang, R, and Vizcaíno, JA (2016).
Recognizing millions of consistently unidentified spectra across hundreds of shotgun proteomics datasets
Nat. Methods, 13(8):651-656.

[250] Hong, HS, Koch, SD, Scheel, B, Gnad-Vogt, U, Schröder, A, Kallen, K, Wiegand, V, Backert, L, Kohlbacher, O, Hoerr, I, Fotin-Mleczek, M, and Billingsley, JM (2016).
Distinct transcriptional changes in non-small cell lung cancer patients associated with multi-antigenic RNActive® CV9201 immunotherapy
Oncoimmunol., 5(12):e1249560..

[249] Junker, J, Sachsenberg, T, Chernev, A, Aicheler, F, Urlaub, H, and Kohlbacher, O (2016).
LFQProfiler and RNPxl: Open-Source Tools for Label-Free Quantification and Protein-RNA Cross-Linking Integrated into Proteome Discoverer
J. Proteome Res., 15(9):3441-8..

[248] Kohlbacher, O, Vitek, O, and Weintraub, ST (2016).
Challenges in Large-Scale Computational Mass Spectrometry and Multiomics
J. Proteome Res., 15(3):681-2.

[247] Krüger, J and Kohlbacher, O (2016).
Containerization and wrapping of a mass spectra prediction workflow
Preprint.

[246] Krüger, J, Thiel, P, Merelli, I, Grunzke, R, and Gesing, S (2016).
Portals and Web-based Resources for Virtual Screening.
Curr Drug Targets.

[245] Löffler, M, Chandra, AP, Laske, K, Schroeder, C, Bonzheim, I, Hilke, FJ, Kowalewski, DJ, Trautwein, N, Schuster, H, Gründer, M, Walzer, M, Mohr, C, Nguyen, H, Riess, O, Bauer, P, Nahnsen, S, Königsrainer, A, Nadalina, S, Zieker, D, Glatzle, J, Thiel, K, Clasen, S, Bösmüller, H, Fend, F, Kohlbacher, O, Gouttefangeas, C, Stevanovic, S, and Rammensee, H (2016).
Personalized peptide vaccine induced immune response associated with long-term survival of a metastatic cholangiocarcinoma patient
J. Hepatol., 65(4):849-55.

[244] Mohr, C, Friedrich, A, Wojnar, D, Kenar, E, Polatkan, AC, Codrea, MC, Czemmel, S, Kohlbacher, O, and Nahnsen, S (2016).
qPortal – A Science Gateway for Biomedical Applications
Proc. Int. Workshop Science Gateways (IWSG 2016).

[243] Müller, SC, Backes, C, Gress, A, Baumgarten, N, Kalinina, OV, Moll, A, Kohlbacher, O, Meese, E, and Keller, A (2016).
BALL-SNPgp – from genetic variants towards computational diagnostics
Bioinformatics.

[242] Nicoludis, JM, Vogt, BE, Green, AG, Schärfe, CP, Marks, DS, and Gaudet, R (2016).
Antiparallel protocadherin homodimers use distinct affinity- and specificity-mediating regions in cadherin repeats 1-4
eLife, 5:e18449.

[241] Perez-Riverol, Y, Gatto, L, Wang, R, Sachsenberg, T, Uszkoreit, J, Leprevost, F, Fufezan, C, Ternent, T, Eglen, SJ, Katz, DS, Pollard, TJ, Konovalov, A, Flight, RM, Blin, K, and Vizcaino, JA (2016).
Ten Simple Rules for Taking Advantage of git and GitHub
bioRxiv.

[240] Ranninger, C, Schmidt, LE, Rurik, M, Limonciel, A, Jennings, P, Kohlbacher, O, and Huber, CG (2016).
Improving global feature detectabilities through scan range splitting for untargeted metabolomics by high-performance liquid chromatography-Orbitrap mass spectrometry
Anal. Chim. Acta, 930:13-22.

[239] Röst, HL, Sachsenberg, T, Aiche, S, Bielow, C, Weisser, H, Aicheler, F, Andreotti, S, Ehrlich, H, Gutenbrunner, P, Kenar, E, Liang, X, Nahnsen, S, Nilse, L, Pfeuffer, J, Rosenberger, G, Rurik, M, Schmitt, U, Veit, J, Walzer, M, Wojnar, D, Wolski, WE, Schilling, O, Choudhary, JS, Malmström, L, Aebersold, R, Reinert, K, and Kohlbacher, O (2016).
OpenMS: A flexible open-source software platform for mass spectrometry data analysis
Nat. Methods, 13(9):741-748.

[238] Schneider, L, Stöckel, D, Kehl, T, Gerasch, A, Ludwig, N, Leidinger, P, Huwer, H, Tenzer, S, Kohlbacher, O, Hildebrandt, A, Kaufmann, M, Gessler, M, Keller, A, Meese, E, Graf, N, and Lenhof, H (2016).
DrugTargetInspector: An assistance tool for patient treatment stratification
Int. J. Cancer, 138(7):1765-76.

[237] Schubert, B and Kohlbacher, O (2016).
Designing string-of-beads vaccines with optimal spacers
Genome Med., 8(1):9.

[236] Schubert, B, Walzer, M, Brachvogel, H, Szolek, A, Mohr, C, and Kohlbacher, O (2016).
FRED 2 – An Immunoinformatics Framework for Python
Bioinformatics, 32(13):2044-6.