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Number of items: 83.

2019

Kleo, K., Dimitrova, L., Oker, E., Tomaszewski, N., Berg, E., Taruttis, Franziska, Engelmann, Julia C. , Schwarzfischer, Philipp, Reinders, Jörg , Spang, Rainer, Gronwald, Wolfram , Oefner, Peter J. and Hummel, Michael (2019) Identification of ADGRE5 as discriminating MYC target between Burkitt lymphoma and diffuse large B-cell lymphoma. BMC Cancer 19 (1), p. 322.

Zacharias, Helena, Altenbuchinger, Michael, Schultheiss, U. T., Samol, Claudia, Kotsis, F., Poguntke, I., Sekula, P., Krumsiek, J., Kottgen, A., Spang, Rainer, Oefner, Peter J. and Gronwald, Wolfram (2019) A Novel Metabolic Signature To Predict the Requirement of Dialysis or Renal Transplantation in Patients with Chronic Kidney Disease. Journal of Proteome Research. Fulltext not available.

2018

Zacharias, Helena , Altenbuchinger, Michael and Gronwald, Wolfram (2018) Statistical Analysis of NMR Metabolic Fingerprints: Established Methods and Recent Advances. Metabolites 8 (3).

Feist, M., Schwarzfischer, Philipp, Heinrich, Paul, Sun, Xueni, Kemper, J., von Bonin, F., Perez-Rubio, Paula, Taruttis, Franziska, Rehberg, Thorsten, Dettmer, Katja , Gronwald, Wolfram , Reinders, Jörg , Engelmann, Julia C. , Dudek, J., Klapper, W., Trumper, L., Spang, Rainer, Oefner, Peter J. and Kube, D. (2018) Cooperative STAT/NF-κB signaling regulates lymphoma metabolic reprogramming and aberrant GOT2 expression. Nat Commun 9 (1), p. 1514.

Li, Y., Sekula, P., Wuttke, M., Wahrheit, J., Hausknecht, B., Schultheiss, U. T., Gronwald, Wolfram, Schlosser, P., Tucci, S., Ekici, A. B., Spiekerkoetter, U., Kronenberg, F., Eckardt, K. U., Oefner, Peter J. and Kottgen, A. (2018) Genome-Wide Association Studies of Metabolites in Patients with CKD Identify Multiple Loci and Illuminate Tubular Transport Mechanisms. J. Am. Soc. Nephrol.. Fulltext not available.

Schlippenbach, Trixi V. , Oefner, Peter J. and Gronwald, Wolfram (2018) Systematic Evaluation of Non-Uniform Sampling Parameters in the Targeted Analysis of Urine Metabolites by1H,1H 2D NMR Spectroscopy. Scientific Reports 8 (1), p. 4249.

2017

Sekula, P. , Dettmer, Katja , Vogl, Franziska C., Gronwald, Wolfram, Ellmann, Lisa, Mohney, R. P., Eckardt, K. U., Suhre, K. , Kastenmuller, G. , Oefner, Peter J. and Kottgen, A. (2017) From Discovery to Translation: Characterization of C-Mannosyltryptophan and Pseudouridine as Markers of Kidney Function. Scientific Reports 7 (1), p. 17400. Fulltext not available.

Zacharias, Helena, Rehberg, Thorsten, Mehrl, S., Richtmann, D., Wettig, Tilo, Oefner, Peter J., Spang, Rainer, Gronwald, Wolfram and Altenbuchinger, Michael (2017) Scale-Invariant Biomarker Discovery in Urine and Plasma Metabolite Fingerprints. J. Proteome Res.. Fulltext not available.

Altenbuchinger, Michael, Schwarzfischer, Philipp, Rehberg, Thorsten, Reinders, Jörg , Kohler, Christian , Gronwald, Wolfram , Richter, J., Szczepanowski, M., Masqué-Soler, N., Klapper, W., Oefner, Peter J. and Spang, Rainer (2017) Molecular signatures that can be transferred across different omics platforms. Bioinformatics 33 (14), i333-i340. Fulltext not available.

Rohde, M., Bonn, B. R., Zimmermann, M., Lange, J., Moricke, A., Klapper, W., Oschlies, I., Szczepanowski, M., Nagel, I., Schrappe, M., Loeffler, M., Siebert, R., Reiter, A., Burkhardt, B., Altenbuchinger, Michael, Dettmer-Wilde, Katja, Engelmann, Julia C. , Gronwald, Wolfram , Oefner, Peter J. , Schwarzfischer, Philipp, Taruttis, Franziska and Spang, Rainer (2017) Relevance of ID3-TCF3-CCND3 pathway mutations in pediatric aggressive B-cell lymphoma treated according to the non-Hodgkin Lymphoma Berlin-Frankfurt-Münster protocols. Haematologica 102 (6), pp. 1091-1098. Fulltext not available.

Schlecht, I., Gronwald, Wolfram, Behrens, G. , Baumeister, S. E., Hertel, J., Hochrein, J., Zacharias, Helena, Fischer, B., Oefner, Peter J. and Leitzmann, M. F. (2017) Visceral adipose tissue but not subcutaneous adipose tissue is associated with urine and serum metabolites. PLoS ONE 12 (4), e0175133.

Wallmeier, Jens, Samol, Claudia, Ellmann, Lisa, Zacharias, Helena, Vogl, Franziska C., Garcia, Muriel, Dettmer, Katja , Oefner, Peter J. and Gronwald, Wolfram (2017) Quantification of metabolites by NMR spectroscopy in the presence of protein. Journal of Proteome Research 1535-3893. Fulltext not available.

Feist, M., Kemper, J., Taruttis, Franziska, Rehberg, Thorsten, Engelmann, Julia C. , Gronwald, Wolfram, Hummel, Michael, Spang, Rainer and Kube, Dieter (2017) Synergy of interleukin 10 and toll-like receptor 9 signalling in B cell proliferation: Implications for lymphoma pathogenesis. International Journal of Cancer: Int. J. Cancer. Fulltext not available.

Schwarzfischer, Philipp, Reinders, Jörg, Dettmer, Katja , Kleo, K., Dimitrova, L., Hummel, M., Feist, M., Kube, D., Szczepanowski, M., Klapper, W., Taruttis, Franziska, Engelmann, Julia C. , Spang, Rainer, Gronwald, Wolfram and Oefner, Peter J. (2017) Comprehensive metaboproteomics of Burkitt's and diffuse large B-cell lymphoma cell lines and primary tumor tissues reveals distinct differences in pyruvate content and metabolism. Journal of Proteome Research 16, pp. 1105-1120. Fulltext not available.

Taruttis, Franziska, Feist, M., Schwarzfischer, Philipp, Gronwald, Wolfram, Kube, D., Spang, Rainer and Engelmann, Julia C. (2017) External calibration with Drosophila whole-cell spike-ins delivers absolute mRNA fold changes from human RNA-Seq and qPCR data. BioTechniques 62 (2), pp. 53-61. Fulltext not available.

Lottaz, Claudio, Gronwald, Wolfram , Spang, Rainer and Engelmann, Julia C. (2017) High-Dimensional Profiling for Computational Diagnosis. In: Bioinformatics : Volume II: Structure, Function, and Applications. Methods in Molecular Biology, 1526. Springer, New York, pp. 205-229. ISBN 978-1-4939-6611-0. Fulltext not available.

2016

Vogl, Franziska C., Mehrl, S., Heizinger, L., Schlecht, I., Zacharias, Helena, Ellmann, L., Nürnberger, N., Gronwald, Wolfram, Leitzmann, M. F., Rossert, J., Eckardt, K. U., Dettmer, Katja and Oefner, Peter J. (2016) Evaluation of dilution and normalization strategies to correct for urinary output in HPLC-HRTOFMS metabolomics. Analytical and Bioanalytical Chemistry (Anal Bioanal Chem). Fulltext not available.

2015

Raschenberger, J., Kollerits, B., Titze, S., Kottgen, A., Barthlein, B., Ekici, A. B., Forer, L., Schonherr, S., Weissensteiner, H., Haun, M., Wanner, C., Eckardt, K. U., Kronenberg, F., Eckardt, K. U., Titze, S., Meiselbach, H., Schneider, M., Dienemann, T., Prokosch, H. U., Barthlein, B., Reis, A., Ekici, A. B., Gefeller, O., Hilgers, K. F., Hubner, S., Avendano, S., Becker-Grosspitsch, D., Hausknecht, B., Zitzmann, R., Weigel, A., Beck, A., Ganslandt, T., Knispel, S., Dressel, T., Kottgen, A., Schultheiss, U., Meder, S., Mitsch, E., Reinhard, U., Walz, G., Floege, J., Schlieper, G., Saritas, T., Ernst, S., Lipski, S., Schaeffner, E., Baid-Agrawal, S., Petzold, K., Kielstein, J. T., Haller, H., Lorenzen, J., Otto, P., Sommerer, C., Follinger, C., Zeier, M., Busch, M., Wolf, G., Paul, K., Dittrich, L., Fuss, R., Hilge, R., Sitter, T., Blank, C., Wanner, C., Krane, V., Toncar, S., Schmiedeke, D., Cavitt, D., Schonowsky, K., Borner-Klein, A., Kronenberg, F., Raschenberger, J., Kollerits, B., Forer, L., Schonherr, S., Weissensteiner, H., Oefner, Peter J., Gronwald, Wolfram, Zacharias, Helena, Schmid, M. and Nadal, J. (2015) Do telomeres have a higher plasticity than thought? Results from the German Chronic Kidney Disease (GCKD) study as a high-risk population. Exp. Gerontol. 72 (162), pp. 162-166. Fulltext not available.

Sekula, Peggy, Goek, Oemer-Necmi, Quaye, Lydia, Barrios, Clara, Levey, Andrew S., Römisch-Margl, Werner, Menni, Cristina, Yet, Idil, Gieger, Christian, Inker, Lesley A., Adamski, Jerzy, Gronwald, Wolfram, Illig, Thomas, Dettmer, Katja, Krumsiek, Jan, Oefner, Peter J., Valdes, Ana M., Meisinger, Christa, Coresh, Josef, Spector, Tim D., Mohney, Robert P., Suhre, Karsten, Kastenmüller, Gabi and Köttgen, Anna (2015) A Metabolome-Wide Association Study of Kidney Function and Disease in the General Population. Journal of the American Society of Nephrology (JASN) 27 (4), pp. 1175-1188.

Raschenberger, J., Kollerits, B., Titze, S., Kottgen, A., Barthlein, B., Ekici, A. B., Forer, L., Schonherr, S., Weissensteiner, H., Haun, M., Wanner, C., Eckardt, K. U., Kronenberg, F., Eckardt, K. U., Titze, S., Meiselbach, H., Schneider, M., Dienemann, T., Prokosch, H. U., Barthlein, B., Reis, A., Ekici, A. B., Gefeller, O., Hilgers, K. F., Hubner, S., Avendano, S., Becker-Grosspitsch, D., Hausknecht, B., Zitzmann, R., Weigel, A., Beck, A., Ganslandt, T., Knispel, S., Dressel, T., Kottgen, A., Schulthei?, U., Meder, S., Mitsch, E., Reinhard, U., Walz, G., Floege, J., Schlieper, G., Saritas, T., Ernst, S., Lipski, S., Schaeffner, E., Baid-Agrawal, S., Petzold, K., Kielstein, J. T., Haller, H., Lorenzen, J., Otto, P., Sommerer, C., Follinger, C., Zeier, M., Busch, M., Wolf, G., Paul, K., Dittrich, L., Fu?, R., Hilge, R., Sitter, T., Blank, C., Wanner, C., Krane, V., Toncar, S., Schmiedeke, D., Cavitt, D., Schonowsky, K., Borner-Klein, A., Kronenberg, F., Raschenberger, J., Kollerits, B., Forer, L., Schonherr, S., Weissensteiner, H., Oefner, Peter J., Gronwald, Wolfram, Zacharias, Helena, Schmid, M. and Nadal, J. (2015) Association of relative telomere length with cardiovascular disease in a large chronic kidney disease cohort: the GCKD study. Atherosclerosis 242 (2), pp. 529-534. Fulltext not available.

Hochrein, Jochen, Zacharias, Helena, Taruttis, Franziska, Samol, Claudia, Engelmann, Julia C., Spang, Rainer, Oefner, Peter J. and Gronwald, Wolfram (2015) Data Normalization of (1)H NMR Metabolite Fingerprinting Data Sets in the Presence of Unbalanced Metabolite Regulation. J. Proteome Res. 14 (8), pp. 3217-3228. Fulltext not available.

Zacharias, Helena, Hochrein, Jochen, Vogl, Franziska C., Schley, G., Mayer, F., Jeleazcov, C., Eckardt, K. U., Willam, C., Oefner, Peter J. and Gronwald, Wolfram (2015) Identification of Plasma Metabolites Prognostic of Acute Kidney Injury after Cardiac Surgery with Cardiopulmonary Bypass. J. Proteome Res. 14 (7), pp. 2897-2905. Fulltext not available.

Beck, H., Titze, S. I., Hubner, S., Busch, M., Schlieper, G., Schultheiss, U. T., Wanner, C., Kronenberg, F., Krane, V., Eckardt, K. U., Kottgen, A., Eckardt, K. U., Titze, S., Prokosch, H. U., Barthlein, B., Reis, A., Ekici, A. B., Gefeller, O., Hilgers, K. F., Hubner, S., Avendano, S., Becker-Grosspitsch, D., Hauck, N., Seuchter, S. A., Hausknecht, B., Rittmeier, M., Weigel, A., Beck, A., Ganslandt, T., Knispel, S., Dressel, T., Malzer, M., Floege, J., Eitner, F., Schlieper, G., Findeisen, K., Arweiler, E., Ernst, S., Unger, M., Lipski, S., Schaeffner, E., Baid-Agrawal, S., Petzold, K., Schindler, R., Kottgen, A., Schultheiss, U., Meder, S., Mitsch, E., Reinhard, U., Walz, G., Haller, H., Lorenzen, J., Kielstein, J. T., Otto, P., Sommerer, C., Follinger, C., Zeier, M., Wolf, G., Busch, M., Paul, K., Dittrich, L., Sitter, T., Hilge, R., Blank, C., Wanner, C., Krane, V., Schmiedeke, D., Toncar, S., Cavitt, D., Schonowsky, K., Borner-Klein, A., Kronenberg, F., Raschenberger, J., Kollerits, B., Forer, L., Schonherr, S., Weissensteiner, H., Oefner, Peter J., Gronwald, Wolfram, Zacharias, Helena and Schmid, M. (2015) Heart failure in a cohort of patients with chronic kidney disease: the GCKD study. PLoS ONE 10 (4).

Tetens, J., Heuer, C., Heyer, I., Klein, Matthias S., Gronwald, Wolfram, Junge, W., Oefner, Peter J., Thaller, G. and Krattenmacher, N. (2015) Polymorphisms within the APOBR gene are highly associated with milk levels of prognostic ketosis biomarkers in dairy cows. Physiol. Genomics 47 (4), pp. 129-137. Fulltext not available.

Jing, J., Kielstein, J. T., Schultheiss, U. T., Sitter, T., Titze, S. I., Schaeffner, E. S., McAdams-DeMarco, M., Kronenberg, F., Eckardt, K. U., Kottgen, A., Eckardt, K. U., Titze, S., Prokosch, H. U., Barthlein, B., Reis, A., Ekici, A. B., Gefeller, O., Hilgers, K. F., Hubner, S., Avendano, S., Becker-Grosspitsch, D., Hauck, N., Seuchter, S. A., Hausknecht, B., Rittmeier, M., Weigel, A., Beck, A., Ganslandt, T., Knispel, S., Dressel, T., Malzer, M., Floege, J., Eitner, F., Schlieper, G., Findeisen, K., Arweiler, E., Ernst, S., Unger, M., Lipski, S., Schaeffner, E., Baid-Agrawal, S., Petzold, K., Schindler, R., Kottgen, A., Schultheiss, U., Meder, S., Mitsch, E., Reinhard, U., Walz, G., Haller, H., Lorenzen, J., Kielstein, J. T., Otto, P., Sommerer, C., Follinger, C., Zeier, M., Wolf, G., Busch, M., Paul, K., Dittrich, L., Sitter, T., Hilge, R., Blank, C., Wanner, C., Krane, V., Schmiedeke, D., Toncar, S., Cavitt, D., Schonowsky, K., Borner-Klein, A., Kronenberg, F., Raschenberger, J., Kollerits, B., Forer, L., Schonherr, S., Weissensteiner, H., Oefner, Peter J., Gronwald, Wolfram, Zacharias, Helena and Schmid, M. (2015) Prevalence and correlates of gout in a large cohort of patients with chronic kidney disease: the German Chronic Kidney Disease (GCKD) study. Nephrol. Dial. Transplant. 30 (4), pp. 613-621. Fulltext not available.

Titze, S., Schmid, M., Kottgen, A., Busch, M., Floege, J., Wanner, C., Kronenberg, F., Eckardt, K. U., Eckardt, K. U., Titze, S., Prokosch, H. U., Barthlein, B., Beck, A., Ganslandt, T., Gefeller, O., Schmid, M., Koster, J., Malzer, M., Schlieper, G., Eitner, F., Meisen, S., Kehl, K., Arweiler, E., Floege, J., Schaeffner, E., Baid-Agrawal, S., Schindler, R., Titze, S., Hubner, S., Dienemann, T., Hilgers, K. F., Eckardt, K. U., Kottgen, A., Schultheiss, U., Walz, G., Kielstein, J. T., Lorenzen, J., Haller, H., Sommerer, C., Zeier, M., Busch, M., Paul, K., Wolf, G., Hilge, R., Sitter, T., Krane, V., Schmiedeke, D., Toncar, S., Wanner, C., Ekici, A. B., Reis, A., Forer, L., Schonherr, S., Weissensteiner, H., Kollertits, B., Raschenberger, J., Kronenberg, F., Gronwald, Wolfram, Zacharias, Helena and Oefner, Peter J. (2015) Disease burden and risk profile in referred patients with moderate chronic kidney disease: composition of the German Chronic Kidney Disease (GCKD) cohort. Nephrol. Dial. Transplant. 30 (3), pp. 441-451. Fulltext not available.

Ehret, A., Hochstuhl, D., Krattenmacher, N., Tetens, J., Klein, M. S., Gronwald, Wolfram and Thaller, G. (2015) Short communication: Use of genomic and metabolic information as well as milk performance records for prediction of subclinical ketosis risk via artificial neural networks. Journal of dairy science 98 (1), pp. 322-329. Fulltext not available.

2013

Klein, Matthias S., Almstetter, Martin F., Nürnberger, Nadine, Sigl, Gregor, Gronwald, Wolfram, Wiedemann, Steffi, Dettmer, Katja and Oefner, Peter J. (2013) Correlations between milk and plasma levels of amino and carboxylic acids in dairy cows. Journal of Proteome Research 12 (11), pp. 5223-5232.

Dettmer, Katja, Vogl, Franziska C., Ritter, Axel P., Zhu, Wentao, Nürnberger, Nadine, Kreutz, Marina, Oefner, Peter J., Gronwald, Wolfram and Gottfried, Eva (2013) Distinct metabolic differences between various human cancer and primary cells. ELECTROPHORESIS 34 (19), pp. 2836-2847. Fulltext not available.

Zacharias, Helena, Hochrein, Jochen, Klein, Matthias S., Samol, Claudia, Oefner, Peter J. and Gronwald, Wolfram (2013) Current Experimental, Bioinformatic and Statistical Methods used in NMR Based Metabolomics. Current Metabolomics 1 (3), pp. 253-268. Fulltext not available.

Kreutz, Marina, Gottfried, Eva, Lang, Sven A., Renner, Kathrin, Bosserhoff, Anja-Katrin, Gronwald, Wolfram, Rehli, Michael, Einhell, Sabine, Gedig, Isabell, Singer, Katrin, Seilbeck, Anton, Mackensen, Andreas, Grauer, Oliver, Hau, Peter, Dettmer, Katja, Andreesen, Reinhard and Oefner, Peter (2013) New aspects of an old drug: Diclofenac targets MYC and glucose metabolism in tumor cells. PLoS ONE 8 (7), e66987.

Zacharias, Helena, Schley, Gunnar, Hochrein, Jochen, Klein, Matthias S., Köberle, Carmen, Eckardt, Kai-Uwe, Willam, Carsten, Oefner, Peter J. and Gronwald, Wolfram (2013) Analysis of human urine reveals metabolic changes related to the development of acute kidney injury following cardiac surgery. Metabolomics 9 (3), pp. 697-707. Fulltext not available.

Klein, Matthias S., Oefner, Peter J. and Gronwald, Wolfram (2013) MetaboQuant: a tool combining individual peak calibration and outlier detection for accurate metabolite quantification in 1D (1)H and (1)H-(13)C HSQC NMR spectra. BioTechniques 54 (5), pp. 251-256. Fulltext not available.

Chirasani, Sridhar Reddy, Leukel, Petra, Gottfried, Eva, Hochrein, Jochen, Stadler, Katrin, Neumann, Bernhard, Oefner, Peter J., Gronwald, Wolfram, Bogdahn, Ulrich, Hau, Peter, Kreutz, Marina and Grauer, Oliver M. (2013) Diclofenac inhibits lactate formation and efficiently counteracts local immune suppression in a murine glioma model. International Journal of Cancer 132 (4), pp. 843-853. Fulltext not available.

Thomas, Anja, Klein, Matthias S., Stevens, Axel Peter, Reinders, Yvonne, Hellerbrand, Claus, Dettmer, Katja, Gronwald, Wolfram, Oefner, Peter J. and Reinders, Jörg (2013) Changes in the hepatic mitochondrial and membrane proteome in mice fed a non-alcoholic steatohepatitis inducing diet. Journal of proteomics 80, pp. 107-122. Fulltext not available.

Dettmer, Katja, Gronwald, Wolfram and Oefner, Peter J. (2013) Instrumentelle Bioanalytik zur Stoffwechselanalytik. Blick in die Wissenschaft. Fulltext not available.

2012

Hochrein, Jochen, Klein, Matthias S., Zacharias, Helena, Li, Juan, Wijffels, Gene, Schirra, Horst Joachim, Spang, Rainer, Oefner, Peter J. and Gronwald, Wolfram (2012) Performance evaluation of algorithms for the classification of metabolic 1H NMR fingerprints. Journal of proteome research 11 (12), pp. 6242-6251. Fulltext not available.

Kohl, Stefanie M., Klein, Matthias S., Hochrein, Jochen, Oefner, Peter J., Spang, Rainer and Gronwald, Wolfram (2012) State-of-the art data normalization methods improve NMR-based metabolomic analysis. Metabolomics 8 (Suppl), pp. 146-160. Fulltext not available.

Thomas, Anja, Stevens, Axel Peter, Klein, Matthias S., Hellerbrand, Claus, Dettmer, Katja, Gronwald, Wolfram, Oefner, Peter J. and Reinders, Jörg (2012) Early changes in the liver-soluble proteome from mice fed a nonalcoholic steatohepatitis inducing diet. Proteomics 12 (9), pp. 1437-1451. Fulltext not available.

Klein, Matthias S., Buttchereit, Nina, Miemczyk, Sebastian P, Immervoll, Ann-Kathrin, Louis, Caridad, Wiedemann, Steffi, Junge, Wolfgang, Thaller, Georg, Oefner, Peter J. and Gronwald, Wolfram (2012) NMR metabolomic analysis of dairy cows reveals milk glycerophosphocholine to phosphocholine ratio as prognostic biomarker for risk of ketosis. Journal of proteome research 11 (2), pp. 1373-1381. Fulltext not available.

Schmidt, Jennifer, Riechers, Alexander, Stoll, Raphael, Amann, Thomas, Fink, Florian, Spruss, Thilo, Gronwald, Wolfram, König, Burkhard, Hellerbrand, Claus and Bosserhoff, Anja Katrin (2012) Targeting melanoma metastasis and immunosuppression with a new mode of melanoma inhibitory activity (MIA) protein inhibition. PloS ONE 7 (5), e37941.

2011

Appel, Inka, Gronwald, Wolfram and Spang, Rainer (2011) Estimating classification probabilities in high-dimensional diagnostic studies. Bioinformatics 27 (18), pp. 2563-2570. Fulltext not available.

Gronwald, Wolfram, Klein, Matthias S., Zeltner, Raoul, Schulze, Bernd-Detlef, Reinhold, Stephan W., Deutschmann, Markus, Immervoll, Ann-Kathrin, Böger, Carsten A., Banas, Bernhard, Eckardt, Kai-Uwe and Oefner, Peter J. (2011) Detection of autosomal dominant polycystic kidney disease by NMR spectroscopic fingerprinting of urine. Kidney international 79 (11), pp. 1244-1253. Fulltext not available.

Klein, Matthias S., Dorn, Christoph , Saugspier, Michael Sebastian, Hellerbrand, Claus, Oefner, Peter J. and Gronwald, Wolfram (2011) Discrimination of steatosis and NASH in mice using nuclear magnetic resonance spectroscopy. Metabolomics 7 (2), pp. 237-246. Fulltext not available.

Fink, Florian, Hochrein, Jochen, Wolowski, Vincent, Merkl, Rainer and Gronwald, Wolfram (2011) PROCOS: Computational analysis of protein–protein complexes. Journal of Computational Chemistry 32 (12), pp. 2575-2586. Fulltext not available.

Dettmer, Katja, Stevens, A., Gronwald, Wolfram, Hellerbrand, Claus and Oefner, Peter J. (2011) Mass spectrometry based metabolomics to study the development of Non-alcoholic steatohepatitis. Zeitschrift für Gastroenterologie 49. Fulltext not available.

2010

Dettmer, Katja, Almstetter, Martin F., Appel, Inka, Nürnberger, Nadine, Schlamberger, Gregor, Gronwald, Wolfram, Meyer, Heinrich H. D. and Oefner, Peter J. (2010) Comparison of serum versus plasma collection in gas chromatography--mass spectrometry-based metabolomics. Electrophoresis 31 (14), pp. 2365-2373. Fulltext not available.

Klein, Matthias S., Almstetter, Martin F., Schlamberger, G., Nürnberger, Nadine, Dettmer, Katja, Oefner, Peter J., Meyer, H. H. D., Wiedemann, Steffi and Gronwald, Wolfram (2010) Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. Journal of dairy science 93 (4), pp. 1539-1550. Fulltext not available.

Gronwald, Wolfram and Kalbitzer, Hans Robert (2010) Automated protein NMR structure determination in solution. Methods in molecular biology 673, pp. 95-127. Fulltext not available.

2009

Gimmler, Jens, Gronwald, Wolfram, Möller, Heiko M. and Exner, Thomas E. (2009) Protein structure calculation with a max-min ant system. Chemistry Central Journal 3 (Supl I), P52.

Baskaran, Kumaran, Kirchhöfer, Renate, Huber, Fritz, Trenner, Jochen, Brunner, Konrad, Gronwald, Wolfram, Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2009) Chemical shift optimization in multidimensional NMR spectra by AUREMOL-SHIFTOPT. Journal of biomolecular NMR 43 (4), pp. 197-210. Fulltext not available.

Fink, Florian, Ederer, Stephan and Gronwald, Wolfram (2009) Protein-Protein Interaction Analysis by Docking. Algorithms 2 (1), pp. 429-436.

Schmid, Markus B, Fleischmann, Matthias, D'Elia, Valerio, Reiser, Oliver, Gronwald, Wolfram and Gschwind, Ruth M. (2009) Residual dipolar couplings in short peptidic foldamers: combined analyses of backbone and side-chain conformations and evaluation of structure coordinates of rigid unnatural amino acids. Chembiochem 10 (3), pp. 440-444. Fulltext not available.

Kaspar, Hannelore, Dettmer, Katja, Gronwald, Wolfram and Oefner, Peter J. (2009) Advances in amino acid analysis. Analytical and bioanalytical chemistry 393 (2), pp. 445-452. Fulltext not available.

2008

Gronwald, Wolfram, Klein, M. S., Kaspar, Hannelore, Fagerer, S. R., Nürnberger, N., Dettmer, Katja, Bertsch, T. and Oefner, Peter J. (2008) Urinary metabolite quantification employing 2D NMR spectroscopy. Anal. Chem. 80 (23), pp. 9288-9297. Fulltext not available.

Gronwald, Wolfram, Bomke, J., Maurer, T., Domogalla, B., Huber, F., Schumann, F., Kremer, W., Fink, F., Rysiok, T., Frech, M. and Kalbitzer, Hans Robert (2008) Structure of the leech protein saratin and characterization of its binding to collagen. J. Mol. Biol. 381 (4), pp. 913-927. Fulltext not available.

Kaspar, Hannelore, Dettmer, Katja, Gronwald, Wolfram and Oefner, Peter J. (2008) Automated GC-MS analysis of free amino acids in biological fluids. J. Chromatogr. B 870 (2), pp. 222-232. Fulltext not available.

Gronwald, Wolfram, Hohm, T. and Hoffmann, D. (2008) Evolutionary Pareto-optimization of stably folding peptides. BMC Bioinformatics 9, p. 109.

Brunner, Konrad, Gronwald, Wolfram, Fischer, A., Trenner, J., Neidig, K.-P. and Kalbitzer, Hans Robert (2008) Automatic Sequential NOESY Assignment and NMR Structure Improvement by X-Ray. In: Hansmann, U. and Meinke, J., (eds.) From Computational Biophysics to Systems Biology (CBSB08). Proceedings of the NIC Workshop 2008. NIC series, 40. John von Neumann Institute for Computing, Jülich, pp. 173-176. ISBN 978-3-9810843-6-8.

Fink, Florian, Ederer, S. and Gronwald, Wolfram (2008) Protein-Protein Interaction Prediction. In: Hansmann, U. and Meinke, J., (eds.) From Computational Biophysics to Systems Biology (CBSB08). Proceedings of the NIC Workshop 2008. NIC series, 40. John von Neumann Institute for Computing, Jülich, pp. 209-212. ISBN 978-3-9810843-6-8.

2007

Gronwald, Wolfram, Brunner, Konrad, Kirchhöfer, Renate, Trenner, Jochen, Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2007) AUREMOL-RFAC-3D, combination of R-factors and their use for automated quality assessment of protein solution structures. Journal of biomolecular NMR 37 (1), pp. 15-30. Fulltext not available.

Schumann, Frank H., Riepl, Hubert, Maurer, Till, Gronwald, Wolfram, Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2007) Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions. Journal of biomolecular NMR 39 (4), pp. 275-289. Fulltext not available.

Kalbitzer, Hans Robert, Kremer, Werner, Schumann, Frank, Spörner, Michael and Gronwald, Wolfram (2007) 7. Elucidation of protein-protein and protein-ligand interactions by NMR-spectroscopy. In: Schuck, Peter, (ed.) Protein interactions: biophysical approaches for the study of complex reversible systems. Protein Reviews, 5 (7). Springer, New York, NY, pp. 189-230. ISBN 978-0-387-35965-6, 978-0-387-35966-3 (e-ISBN). Fulltext not available.

Fink, Florian, Merkl, Rainer and Gronwald, Wolfram (2007) Verification of protein-protein interactions by use of docking techniques. In: Hansmann, U. H. E. and Meinke, J. Mohanty S. and Zimmermann, O., (eds.) From computational biophysics to systems biology (CBSB07). Proceedings of the NIC Workshop 2007. NIC Series, 36. John von Neumann Institute for Computing, Jülich, pp. 125-127. ISBN 978-3-9810843-2-0.

2006

Brunner, Konrad, Gronwald, Wolfram, Trenner, Jochen, Neidig, Klaus-Peter and Kalbitzer, Hans-Robert (2006) A general method for the unbiased improvement of solution NMR structures by the use of related X-ray data, the AUREMOL-ISIC algorithm. BMC Structural Biology 6 (14). Fulltext restricted.

Böhm, Matthias, Stadlthanner, Kurt, Gruber, Peter, Theis, Fabian, Lang, Elmar W., Tomé, A., Teixeira, A., Gronwald, Wolfram and Kalbitzer, Hans-Robert (2006) On the use of simulated annealing to automatically assign decorrelated components in second-order blind source separation. IEEE Transactions on Biomedical Engineering 53 (5), pp. 810-820. Fulltext not available.

Stadlthanner, Kurt, Tomé, A. M., Theis, Fabian, Lang, Elmar, Gronwald, Wolfram and Kalbitzer, Hans-Robert (2006) Separation of water artefacts in 2D NOESY protein spectra using congruent matrix pencils. Neurocomputing 69 (4-6), pp. 497-522. Fulltext not available.

2005

Möglich, Andreas, Weinfurtner, Daniel, Maurer, Till, Gronwald, Wolfram and Kalbitzer, Hans Robert (2005) A restraint molecular dynamics and simulated annealing approach for protein homology modeling utilizing mean angles. BMC bioinformatics 6, p. 91. Fulltext not available.

2004

Ried, Andreas, Gronwald, Wolfram, Trenner, Jochen M., Brunner, Konrad, Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2004) Improved simulation of NOESY spectra by RELAX-JT2 including effects of J-coupling, transverse relaxation and chemical shift anisotropy. Journal of Biomolecular NMR 30 (2), pp. 121-131. Fulltext not available.

Hattori, Mineyuki, Li, Hua, Yamada, Hiroaki, Akasaka, Kazuyuki, Hengstenberg, Wolfgang, Gronwald, Wolfram and Kalbitzer, Hans Robert (2004) Infrequent cavity-forming fluctuations in HPr from Staphylococcus carnosus revealed by pressure- and temperature-dependent tyrosine ring flips. Protein science 13 (12), pp. 3104-3114. Fulltext not available.

Möglich, Andreas, Koch, Brigitte, Gronwald, Wolfram, Hengstenberg, Wolfgang, Brunner, Eike and Kalbitzer, Hans Robert (2004) Solution structure of the active-centre mutant I14A of the histidine-containing phosphocarrier protein from Staphylococcus carnosus. European journal of biochemistry (= the FEBS journal) 271 (23-24), pp. 4815-4824. Fulltext not available.

2003

Kachel, Norman, Erdmann, Kai Sven, Kremer, Werner, Wolff, Peter, Gronwald, Wolfram, Heumann, Rolf and Kalbitzer, Hans Robert (2003) Structure determination and ligand interactions of the PDZ2b domain of PTP-Bas (hPTP1E): splicing-induced modulation of ligand specificity. Journal of molecular biology 334 (1), pp. 143-155. Fulltext not available.

2002

Gronwald, Wolfram, Moussa, Sherif, Elsner, Ralph, Jung, Astrid, Ganslmeier, Bernhard, Trenner, Jochen, Kremer, Werner, Neidig, Klaus-Peter and Kalbitzer, Hans Robert (2002) Automated assignment of NOESY NMR spectra using a knowledge based method (KNOWNOE). Journal of Biomolecular NMR 23 (4), pp. 271-287. Fulltext not available.

1998

Loewen, M. C., Gronwald, Wolfram, Sonnichsen, F. D., Sykes, B. D. and Davies, P. L. (1998) The ice-binding site of sea raven antifreeze protein is distinct from the carbohydrate-binding site of the homologous C-type lectin. Biochemistry 37 (51), pp. 17745-17753. Fulltext not available.

Gronwald, Wolfram, Willard, L., Jellard, T., Boyko, R. F., Rajarathnam, K., Wishart, D. S., Sonnichsen, F. D. and Sykes, B. D. (1998) CAMRA: chemical shift based computer aided protein NMR assignments. Journal of Biomolecular NMR 12 (3), pp. 395-405. Fulltext not available.

Gronwald, Wolfram, Loewen, M. C., Lix, B., Daugulis, A. J., Sonnichsen, F. D., Davies, P. L. and Sykes, B. D. (1998) The solution structure of type II antifreeze protein reveals a new member of the lectin family. Biochemistry 37 (14), pp. 4712-4721. Fulltext not available.

Gibbs, A. C., Kondejewski, L. H., Gronwald, Wolfram, Nip, A. M., Hodges, R. S., Sykes, B. D. and Wishart, D. S. (1998) Unusual beta-sheet periodicity in small cyclic peptides. Nature Structural & Molecular Biology (formerly: Nature Structural Biology) 5 (4), pp. 284-288. Fulltext not available.

1997

Gronwald, Wolfram, Schomburg, D., Tegge, W. and Wray, V. (1997) Assessment by 1H NMR spectroscopy of the structural behaviour of human parathyroid-hormone-related protein(1-34) and its close relationship with the N-terminal fragments of human parathyroid hormone in solution. Biological Chemistry 378 (12), pp. 1501-1508. Fulltext not available.

Gronwald, Wolfram, Boyko, R. F. and Sykes, B. D. (1997) GSC: a graphical program for NMR chemical shift comparison. Bioinformatics (formerly: Computer Applications in the Biosciences) 13 (5), pp. 557-558. Fulltext not available.

Gronwald, Wolfram, Boyko, R. F., Sönnichsen, F., Wishart, D. S. and Sykes, B. D. (1997) ORB, a Homology-Based Program for the Prediction of Protein NMR Chemical Shifts. Journal of Biomolecular NMR 10, pp. 165-179. Fulltext not available.

1996

Gronwald, Wolfram, Chao, H., Reddy, D. V., Davies, P. L., Sykes, B. D. and Sonnichsen, F. D. (1996) NMR characterization of side chain flexibility and backbone structure in the type I antifreeze protein at near freezing temperatures. Biochemistry 35 (51), pp. 16698-16704. Fulltext not available.

Gronwald, Wolfram, Schomburg, D., Harder, M. P., Mayer, H., Paulsen, J., Wingender, E. and Wray, V. (1996) Structure of recombinant human parathyroid hormone in solution using multidimensional NMR spectroscopy. Biological Chemistry (formerly: Biological chemistry Hoppe-Seyler) 377 (3), pp. 175-186. Fulltext not available.

1994

Wray, V., Federau, T., Gronwald, Wolfram, Mayer, H., Schomburg, D., Tegge, W. and Wingender, E. (1994) The structure of human parathyroid hormone from a study of fragments in solution using 1H NMR spectroscopy and its biological implications. Biochemistry 33 (7), pp. 1684-1693. Fulltext not available.

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