128 entries « 3 of 3 »

2007

Willighagen, E L; O'Boyle, N M; Gopalakrishnan, H; Jiao, D; Guha, R; Steinbeck, C; Wild, D J

Userscripts for the life sciences Journal Article

BMC Bioinformatics, 8 (1), pp. 487, 2007.

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Schenk, Ang{'e}la ; Xu, Zhongli ; Pfeiffer, Corina ; Steinbeck, Christoph ; Hertweck, Christian

Geminal bismethylation prevents polyketide oxidation and dimerization in the benastatin pathway. Journal Article

Angewandte Chemie. International Ed. in English, 46 (37), pp. 7035–7038, 2007.

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2006

Steinbeck, Christoph ; Hoppe, Christian ; Kuhn, Stefan ; Guha, Rajarshi ; Willighagen, Egon L

Recent Developments of The Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics Journal Article

Current pharmaceutical design, 12 (17), pp. 2111–2120, 2006.

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Hoppe, C; Steinbeck, C; Wohlfahrt, G

Classification and comparison of ligand-binding sites derived from grid-mapped knowledge-based potentials Journal Article

Journal of Molecular Graphics & Modelling, 24 (5), pp. 328–340, 2006.

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Guha, Rajarshi ; Howard, Michael T; Hutchison, Geoffrey R; Murray-Rust, Peter ; Rzepa, Henry ; Steinbeck, Christoph ; Wegner, Joerg ; Willighagen, Egon L

The Blue Obelisk - Interoperability in Chemical Informatics Journal Article

Journal of Chemical Information and Modeling, 46 (3), pp. 991–998, 2006.

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2005

Steinbeck, C; Kuhn, Stefan

Eine offene NMR-Datenbank Journal Article

Nachrichten Aus Der Chemie, 53 , pp. 1039–1040, 2005.

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2004

Steinbeck, Christoph ; Kuhn, Stefan

NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database. Journal Article

Phytochemistry, 65 (19), pp. 2711–2717, 2004.

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Steinbeck, C

Recent developments in automated structure elucidation of natural products Journal Article

Natural Product Reports, 21 (4), pp. 512–518, 2004.

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Han, Y Q; Steinbeck, C

Evolutionary-algorithm-based strategy for computer-assisted structure elucidation Journal Article

Journal of Chemical Information & Computer Sciences, 44 (2), pp. 489–498, 2004.

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2003

Steinbeck, C

Correlations between Chemical Structures and NMR Data Incollection

Gasteiger, Johann ; Engel, Thomas (Ed.): pp. 1368–1377, John Wiley & Sons, Weinheim, 2003, ISBN: 3527618279.

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Steinbeck, C; Krause, S; Kuhn, S

NMRShiftDB - Constructing a free chemical information system with open-source components Journal Article

Journal of Chemical Information & Computer Sciences, 43 (6), pp. 1733–1739, 2003.

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Steinbeck, C; Han, Y Q; Kuhn, S; Horlacher, O; Luttmann, E; Willighagen, E

The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics Journal Article

Journal of Chemical Information & Computer Sciences, 43 (2), pp. 493–500, 2003.

Abstract | Links | BibTeX

Steinbeck, C

Correlations between Chemical Structures and NMR Data Incollection

pp. 1368–1377, John Wiley & Sons, Weinheim, 2003, ISBN: 3527618279.

Links | BibTeX

2001

Steinbeck, C

The automation of natural product structure elucidation. Journal Article

Current Opinion in Drug Discovery and Development, 4 (3), pp. 338–342, 2001.

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Yankep, E; Mbafor, J T; Fomum, Z T; Steinbeck, C; Messanga, B B; Nyasse, B; Budzikiewicz, H; Lenz, C; Schmickler, H

Further isoflavonoid metabolites from Millettia griffoniana (Bail) Journal Article

Phytochemistry, 56 (4), pp. 363–368, 2001.

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Steinbeck, C

SENECA: A platform-independent, distributed, and parallel system for computer-assisted structure elucidation in organic chemistry Journal Article

Journal of Chemical Information & Computer Sciences, 41 (6), pp. 1500–1507, 2001.

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2000

Krause, Stefan ; Willighagen, Egon ; Steinbeck, Christoph

JChemPaint - Using the Collaborative Forces of the Internet to Develop a Free Editor for 2D Chemical Structures Journal Article

Molecules, 5 (1), pp. 93–98, 2000.

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1999

Ho, W C; Steinbeck, C; Richert, C

Solution structure of the aminoacyl-capped oligodeoxyribonucleotide duplex (W-TGCGCAC)(2) Journal Article

Biochemistry, 38 (39), pp. 12597–12606, 1999.

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1998

Zhang, G L; Rucker, G; Breitmeier, E; Mayer, R; Steinbeck, C

Alkaloids from Thalictrum przewalskii. Journal Article

Planta Medica, 64 (2), pp. 165–171, 1998.

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Steinbeck, Christoph; Richert, Clemens

The Role of Ionic Backbones in RNA Structure:~ An Unusually Stable Non-WatsontextminusCrick Duplex of a Nonionic Analog in an Apolar Medium Journal Article

Journal of the American Chemical Society, 120 (45), pp. 11576–11580, 1998.

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1997

Steinbeck, C; Spitzer, V; Starosta, M; von Poser, G

Identification of two chromenes from Calea serrata by semiautomatic structure elucidation Journal Article

Journal of Natural Products, 60 (6), pp. 627–628, 1997.

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Berlin, K; Jain, R K; Tetzlaff, C; Steinbeck, C; Richert, C

Spectrometrically monitored selection experiments - quantitative laser desorption mass spectrometry of small chemical libraries Journal Article

Chemistry & Biology, 4 (1), pp. 63–77, 1997.

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Steinbeck, C; Berlin, K; Richert, C

Masp - a Program Predicting Mass Spectra of Combinatorial Libraries Journal Article

Journal of Chemical Information & Computer Sciences, 37 (3), pp. 449–457, 1997.

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1996

Steinbeck, C

LUCY-ein Programm zur Konstitutionsermittlung aus NMR-Korrelationsexperimenten Mein łdots Journal Article

Angewandte Chemie, 1996.

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Berlin, K; Steinbeck, C; Breitmaier, E

Synthesis of carba-porphyrinoids from tripyrranes and unsaturated dialdehydes Journal Article

Synthesis-Stuttgart, (3), pp. 336 ff., 1996.

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Steinbeck, C

Lucy - A Program For Structure Elucidation From NMR Correlation Experiments Journal Article

Angewandte Chemie International Edition in English, 35 (17), pp. 1984–1986, 1996.

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1995

Steinbeck, C; Schneider, C; Rotscheidt, K; Breitmaier, E

A 4-methyl-7-hydroxyphthalide glycoside and other constituents from Quillaja saponaria molina. Journal Article

Phytochemistry, 40 (4), pp. 1313–1315, 1995.

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Zhang, G L; Rucker, G; Breitmaier, E; Nieger, M; Mayer, R; Steinbeck, C

Alkaloids from Dactylicapnos torulosa Journal Article

Phytochemistry, 40 (1), pp. 299–305, 1995.

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128 entries « 3 of 3 »