Selection of Fragments for Kinase Inhibitor Design: Decoration Is Key von Czodrowski, Paul, Hölzemann, Günter, Barnickel, Gerhard, Greiner, Hartmut, Musil, Djordje

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LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins von Hendlich, Manfred, Rippmann, Friedrich, Barnickel, Gerhard

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Identification of Benzothiazoles as Potential Polyglutamine Aggregation Inhibitors of Huntington's Disease by Using an Automated Filter Retardation Assay von Heiser, Volker, Engemann, Sabine, Bröcker, Wolfgang, Dunkel, Ilona, Boeddrich, Annett, Waelter, Stephanie, Nordhoff, Eddi, Lurz, Rudi, Schugardt, Nancy, Rautenberg, Susanne, Herhaus, Christian, Barnickel, Gerhard, Böttcher, Henning, Lehrach, Hans, Wanker, Erich E.

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Discriminating between Drugs and Nondrugs by Prediction of Activity Spectra for Substances (PASS) von Anzali, Soheila, Barnickel, Gerhard, Cezanne, Bertram, Krug, Michael, Filimonov, Dmitrii, Poroikov, Vladimir

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A Normal Mode-Based Geometric Simulation Approach for Exploring Biologically Relevant Conformational Transitions in Proteins von Ahmed, Aqeel, Rippmann, Friedrich, Barnickel, Gerhard, Gohlke, Holger

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The comparison of geometric and electronic properties of molecular surfaces by neural networks: application to the analysis of corticosteroid-binding globulin activity of steroids von Anzali, S, Barnickel, G, Krug, M, Sadowski, J, Wagener, M, Gasteiger, J, Polanski, J

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Vibrational spectroscopic analysis of LD-sequential, bacterial cell wall peptides: An IR and raman study von Naumann, Dieter, Labischinski, Harald, Rönspeck, Wolfgang, Barnickel, Gerhard, Bradaczek, Hans

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Molecular Modelling – von der Theorie zur Wirklichkeit von Barnickel, Gerhard

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Molecular Modelling - von der Theorie zur Wirklichkeit von Barnickel, Gerhard

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Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS) von ANZALI, Soheila, BARNICKEL, Gerhard, CEZANNE, Bertram, KRUG, Michael, FILIMONOV, Dmitrii, POROIKOV, Vladimir

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Synthesis and dopaminergic activity of some 3-(1,2,3,6-tetrahydro-1-pyridylalkyl)indoles. A novel conformational model to explain structure-activity relationships von Boettcher, Henning, Barnickel, Gerhard, Hausberg, Hans Heinrich, Haase, Anton F, Seyfried, Christoph A, Eiermann, Volker

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Do substance P agonists insert into the lipid membrane? von Hölzemann, Günter, Greiner, Hartmut E., Harting, Jürgen, Barnickel, Gerhard, Seelig, Anna

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Conformation-based design of two cyclic physalaemin analogues von Hölzemann, Günter, Jonczyk, Alfred, Eiermann, Volker, Pachler, Klaus C. R., Barnickel, Gerhard, Regoli, Domenico

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Structural studies on the bacterial cell wall peptidoglycan pseudomurein. I. Conformational energy calculations on the glycan strands in C1 conformation and comparison with murein von Leps, Bernd, Barnickel, Gerhard, Bradaczek, Hans, Labischinski, Harald

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Squaric Acid Derivatives as Protein Kinase Inhibitors von GREINER HARTMUT, BARNICKEL GERHARD, STIEBER FRANK, MEDERSKI WERNER, ZENKE FRANK, EMDE ULRICH

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Quantum chemical studies on the conformational structure of bacterial peptidoglycan. III. CNDO and INDO calculations on the N-acetyl-giucosamine von Singh Yadav, Janardan, Barnickel, Gerhard, Bradaczek, Hans, Labischinski, Harald

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Squaric Acid Derivatives II von GREINER HARTMUT, BARNICKEL GERHARD, STIEBER FRANK, MEDERSKI WERNER, ZENKE FRANK, EMDE ULRICH

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Quantum chemical studies on the conformational structure of bacterial peptidoglycan. I. MNDO calculations on the glycan moiety von Singh Yadav, Janardan, Labischinski, Harald, Barnickel, Gerhard, Bradaczek, Hans

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Infrared spectroscopy, a tool for probing bacterial peptidoglycan. Potentialities of infrared spectroscopy for cell wall analytical studies and rejection of models based on crystal... von Naumann, D, Barnickel, G, Bradaczek, H, Labischinski, H, Giesbrecht, P

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QUADRATIC ACID DERIVATIVES IN THE FORM OF A PROTEIN KINASE INHIBITORS von BARNICKEL, GERHARD, STIEBER, FRANK, EMDE, ULRICH, ZENKE, FRANK, MEDERSKI, WERNER, GREINER, HARTMUT

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