Gerhard Wolber: шукати на сайті Z-Library

Theodora M. Steindl, Daniela Schuster, Gerhard Wolber, Christian Laggner, Thierry Langer

Рік:

2016

Мова:

english

Файл:

PDF, 3.14 MB

english, 2016

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening

Журнал:

Journal of Computer-Aided Molecular Design

Рік:

2006

Мова:

english

Файл:

PDF, 232 KB

english, 2006

LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Wolber, Gerhard, Langer, Thierry

Журнал:

Journal of Chemical Information and Modeling

Рік:

2005

Мова:

english

Файл:

PDF, 338 KB

english, 2005

Antiviral Potential and Molecular Insight into Neuraminidase Inhibiting Diarylheptanoids from Alpinia katsumadai

Grienke, Ulrike, Schmidtke, Michaela, Kirchmair, Johannes, Pfarr, Kathrin, Wutzler, Peter, Dürrwald, Ralf, Wolber, Gerhard, Liedl, Klaus R., Stuppner, Hermann, Rollinger, Judith M.

Журнал:

El-Houri, Rime, Mortier, Jérémie, Murgueitio, Manuela, Wolber, Gerhard, Christensen, Lars

Рік:

2010

Мова:

english

Файл:

PDF, 4.83 MB

english, 2010

Identification of PPARγ Agonists from Natural Sources Using Different In Silico Approaches

Журнал:

Planta Medica

Рік:

2014

Мова:

english

Файл:

PDF, 242 KB

english, 2014

Development of Anti-Viral Agents Using Molecular Modeling and Virtual Screening Techniques

Kirchmair, Johannes, Distinto, Simona, Roman Liedl, Klaus, Markt, Patrick, Maria Rollinger, Judith, Schuster, Daniela, Maria Spitzer, Gudrun, Wolber, Gerhard

Журнал:

Infectious Disorders - Drug Targets(Formerly Current Drug Targets - Infectious Disorders)

Рік:

2011

Мова:

english

Файл:

PDF, 831 KB

english, 2011

Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments

Becker, Daniel, Kaczmarska, Zuzanna, Arkona, Christoph, Schulz, Robert, Tauber, Carolin, Wolber, Gerhard, Hilgenfeld, Rolf, Coll, Miquel, Rademann, Jörg

Журнал:

Nature Communications

Рік:

2016

Мова:

english

Файл:

PDF, 992 KB

english, 2016

Phenylthiomethyl ketone-based fragments show selective and irreversible inhibition of enteroviral 3C proteases

Schulz, Robert, Atef, Amira, Becker, Daniel, Gottschalk, Franziska, Tauber, Carolin, Wagner, Stefan, Arkona, Christoph, Abdel-Hafez, Atef A, Farag, Hassan H, Rademann, Jörg, Wolber, Gerhard

Журнал:

Gerhard Wolber, Thierry Langer

Рік:

2018

Мова:

english

Файл:

PDF, 3.15 MB

english, 2018

Ecdysteroids: A novel class of anabolic agents?

Parr, Maria, Botrè, Francesco, Naß, Alexandra, Hengevoss, Jonas, Diel, Patrick, Wolber, Gerhard

Журнал:

Biology of Sport

Рік:

2014

Мова:

english

Файл:

PDF, 1018 KB

english, 2014

LigandScout: 3-D Pharmacophores Derived from Protein-Bound Lingands and Their Use as Virtual Screening Filters.

Журнал:

ChemInform

Рік:

2005

Файл:

PDF, 8 KB

2005

Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst′s Conformational Space Subsampling Algorithms.

Johannes Kirchmair, Christian Laggner, Gerhard Wolber, Thierry Langer

Журнал:

ChemInform

Рік:

2005

Файл:

PDF, 8 KB

2005

Development of 2,3,5-Triaryl-1H-pyrroles as Estrogen Receptor α Selective Ligands

Dr. Anja Schäfer, Anja Wellner, Martin Strauss, Prof. Dr. Gerhard Wolber, Prof. Dr. Ronald Gust

Журнал:

ChemMedChem

Рік:

2011

Мова:

english

Файл:

PDF, 743 KB

english, 2011

Predicting Cyclooxygenase Inhibition by Three-Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology

Daniela Schuster, Birgit Waltenberger, Johannes Kirchmair, Simona Distinto, Patrick Markt, Hermann Stuppner, Judith M. Rollinger, Gerhard Wolber

Журнал:

Molecular Informatics

Рік:

2010

Мова:

english

Файл:

PDF, 1.10 MB

english, 2010

11β-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches

Judith M. Rollinger, Denise V. Kratschmar, Daniela Schuster, Petra H. Pfisterer, Christel Gumy, Evelyne M. Aubry, Sarah Brandstötter, Hermann Stuppner, Gerhard Wolber, Alex Odermatt

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 685 KB

english, 2010

Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors

Daniela Schuster, Mariana Spetea, Melisa Music, Silvia Rief, Monika Fink, Johannes Kirchmair, Johannes Schütz, Gerhard Wolber, Thierry Langer, Hermann Stuppner, Helmut Schmidhammer, Judith M. Rollinge

Журнал:

Petra H. Pfisterer, Chenxi Shen, Zaneta Nikolovska-Coleska, Lilianna Schyschka, Daniela Schuster, Anita Rudy, Gerhard Wolber, Angelika M. Vollmar, Judith M. Rollinger, Hermann Stuppner

Рік:

2010

Мова:

english

Файл:

PDF, 1.33 MB

english, 2010

In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2011

Мова:

english

Файл:

PDF, 805 KB

english, 2011

Discovery of novel benzene 1,3-dicarboxylic acid inhibitors of bacterial MurD and MurE ligases by structure-based virtual screening approach

Andrej Perdih, Andreja Kovač, Gerhard Wolber, Didier Blanot, Stanislav Gobec, Tom Solmajer

Журнал:

Рік:

2009

Мова:

english

Файл:

PDF, 1.44 MB

english, 2009

Discovery of a novel IKK-β inhibitor by ligand-based virtual screening techniques

Stefan M. Noha, Atanas G. Atanasov, Daniela Schuster, Patrick Markt, Nanang Fakhrudin, Elke H. Heiss, Olivia Schrammel, Judith M. Rollinger, Hermann Stuppner, Verena M. Dirsch, Gerhard Wolber

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2011

Мова:

english

Файл:

PDF, 1000 KB

english, 2011

A ligand-based 3D pharmacophore model for the μ opioid receptor: application to the morphinan class of opioids

Muhammad Faheem Asim, Gerhard Wolber, Mariana Spetea, Helmut Schmidhammer

Журнал:

BMC Pharmacology

Рік:

2010

Мова:

english

Файл:

PDF, 96 KB

english, 2010

Identification of novel ligands interacting with kappa opioid receptors

Mariana Spetea, Muhammad F Asim, Ilona P Berzetei-Gurske, Gerhard Wolber, Helmut Schmidhammer

Журнал:

BMC Pharmacology

Рік:

2011

Мова:

english

Файл:

PDF, 69 KB

english, 2011

Efficient 3D pharmacophore alignment as a tool for structure-based modeling and scoring

Gerhard Wolber

Журнал:

Chemistry Central Journal

Рік:

2008

Мова:

english

Файл:

PDF, 71 KB

english, 2008

3D pharmacophore alignments: does improved geometric accuracy affect virtual screening performance?

Gerhard Wolber, T Seidel, F Bendix

Журнал:

Journal of Cheminformatics

Рік:

2010

Мова:

english

Файл:

PDF, 143 KB

english, 2010

Efficient overlay of small organic molecules using 3D pharmacophores

Gerhard Wolber, Alois A. Dornhofer, Thierry Langer

Журнал:

Journal of Computer-Aided Molecular Design

Рік:

2006

Мова:

english

Файл:

PDF, 924 KB

english, 2006

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

Johannes Kirchmair, Patrick Markt, Simona Distinto, Gerhard Wolber, Thierry Langer

Журнал:

Journal of Computer-Aided Molecular Design

Рік:

2008

Мова:

english

Файл:

PDF, 408 KB

english, 2008

Characterization of new PPARγ agonists: Benzimidazole derivatives—importance of positions 5 and 6, and computational studies on the binding mode

Matthias Goebel, Gerhard Wolber, Patrick Markt, Bart Staels, Thomas Unger, Ulrich Kintscher, Ronald Gust

Журнал:

von Grafenstein, Susanne, Mihaly-Bison, Judit, Wolber, Gerhard, Bochkov, Valery N., Liedl, Klaus R., Schuster, Daniela

Рік:

2010

Мова:

english

Файл:

PDF, 1.44 MB

english, 2010

Identification of Novel Liver X Receptor Activators by Structure-Based Modeling

Журнал:

Journal of Chemical Information and Modeling

Рік:

2012

Мова:

english

Файл:

PDF, 3.99 MB

english, 2012

ChemInform Abstract: New 4-[(5-Arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic Acids (VII) Active as Protein Tyrosine Phosphatase Inhibitors Endowed with Insulinomimetic Effect on Mouse C2C12 Skeletal Muscle Cells.

Rosaria Ottana, Rosanna Maccari, Simona Amuso, Gerhard Wolber, Daniela Schuster, Sonja Herdlinger, Giampaolo Manao, Guido Camici, Paolo Paoli

Журнал:

ChemInform

Рік:

2012

Файл:

PDF, 38 KB

2012

The UV-filter benzophenone-1 inhibits 17β-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals

Lyubomir G. Nashev, Daniela Schuster, Christian Laggner, Seloni Sodha, Thierry Langer, Gerhard Wolber, Alex Odermatt

Журнал:

Biochemical Pharmacology

Рік:

2010

Мова:

english

Файл:

PDF, 531 KB

english, 2010

Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation

Daniela Schuster, Patrick Markt, Ulrike Grienke, Judit Mihaly-Bison, Markus Binder, Stefan M. Noha, Judith M. Rollinger, Hermann Stuppner, Valery N. Bochkov, Gerhard Wolber

Журнал:

Рік:

2011

Мова:

english

Файл:

PDF, 2.24 MB

english, 2011

Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum

Ulrike Grienke, Judit Mihály-Bison, Daniela Schuster, Taras Afonyushkin, Markus Binder, Shu-hong Guan, Chun-ru Cheng, Gerhard Wolber, Hermann Stuppner, De-an Guo, Valery N. Bochkov, Judith M. Rollinge

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2011

Мова:

english

Файл:

PDF, 1.23 MB

english, 2011

Pharmacophore-based discovery of a novel cytosolic phospholipase A2α inhibitor

Stefan M. Noha, Bianca Jazzar, Susanne Kuehnl, Judith M. Rollinger, Hermann Stuppner, Anja M. Schaible, Oliver Werz, Gerhard Wolber, Daniela Schuster

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 761 KB

english, 2012

Molecule-pharmacophore superpositioning and pattern matching in computational drug design

Gerhard Wolber, Thomas Seidel, Fabian Bendix, Thierry Langer

Журнал:

Drug Discovery Today

Рік:

2008

Мова:

english

Файл:

PDF, 433 KB

english, 2008

Synthesis and biological assessment of novel 2-thiazolylhydrazones and computational analysis of their recognition by monoamine oxidase B

Simona Distinto, Matilde Yáñez, Stefano Alcaro, M. Cristina Cardia, Marco Gaspari, M. Luisa Sanna, Rita Meleddu, Francesco Ortuso, Johannes Kirchmair, Patrick Markt, Adriana Bolasco, Gerhard Wolber, D

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 1.76 MB

english, 2012

New 4-[(5-arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic acids active as protein tyrosine phosphatase inhibitors endowed with insulinomimetic effect on mouse C2C12 skeletal muscle cells

Rosaria Ottanà, Rosanna Maccari, Simona Amuso, Gerhard Wolber, Daniela Schuster, Sonja Herdlinger, Giampaolo Manao, Guido Camici, Paolo Paoli

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 1.11 MB

english, 2012

Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach

Simona Distinto, Francesca Esposito, Johannes Kirchmair, M. Cristina Cardia, Marco Gaspari, Elias Maccioni, Stefano Alcaro, Patrick Markt, Gerhard Wolber, Luca Zinzula, Enzo Tramontano

Журнал:

Birgit Waltenberger, Daniela Schuster, Sompol Paramapojn, Wandee Gritsanapan, Gerhard Wolber, Judith M. Rollinger, Hermann Stuppner

Рік:

2012

Мова:

english

Файл:

PDF, 4.65 MB

english, 2012

Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine

Журнал:

Phytomedicine

Рік:

2011

Мова:

english

Файл:

PDF, 1.37 MB

english, 2011

Discovery of novel TLR modulators by Molecular Modeling and Virtual Screening

Manuela S Murgueitio, Sandra Santos-Sierra, Gerhard Wolber

Журнал:

Journal of Cheminformatics

Рік:

2012

Мова:

english

Файл:

PDF, 71 KB

english, 2012

Discovery of Novel PPAR Ligands by a Virtual Screening Approach Based on Pharmacophore Modeling, 3D Shape, and Electrostatic Similarity Screening

Markt, Patrick, Petersen, Rasmus K., Flindt, Esben N., Kristiansen, Karsten, Kirchmair, Johannes, Spitzer, Gudrun, Distinto, Simona, Schuster, Daniela, Wolber, Gerhard, Laggner, Christian

Журнал:

Dirk Classen-Houben, Daniela Schuster, Thierry Da Cunha, Alex Odermatt, Gerhard Wolber, Ulrich Jordis, Bernhard Kueenburg

Рік:

2008

Мова:

english

Файл:

PDF, 828 KB

english, 2008

Selective inhibition of 11β-hydroxysteroid dehydrogenase 1 by 18α-glycyrrhetinic acid but not 18β-glycyrrhetinic acid

Журнал:

The Journal of Steroid Biochemistry and Molecular Biology

Рік:

2009

Мова:

english

Файл:

PDF, 438 KB

english, 2009

Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

Daniela Schuster, Dorota Kowalik, Johannes Kirchmair, Christian Laggner, Patrick Markt, Christel Aebischer-Gumy, Fabian Ströhle, Gabriele Möller, Gerhard Wolber, Thomas Wilckens, Thierry Langer, Alex

Журнал:

The Journal of Steroid Biochemistry and Molecular Biology

Рік:

2011

Мова:

english

Файл:

PDF, 745 KB

english, 2011

Characterization of activity and binding mode of glycyrrhetinic acid derivatives inhibiting 11β-hydroxysteroid dehydrogenase type 2

Denise V. Kratschmar, Anna Vuorinen, Thierry Da Cunha, Gerhard Wolber, Dirk Classen-Houben, Otto Doblhoff, Daniela Schuster, Alex Odermatt

Журнал:

The Journal of Steroid Biochemistry and Molecular Biology

Рік:

2011

Мова:

english

Файл:

PDF, 1.17 MB

english, 2011

Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms

Kirchmair, Johannes, Laggner, Christian, Wolber, Gerhard, Langer, Thierry

Журнал:

Journal of Chemical Information and Modeling

Рік:

2005

Мова:

english

Файл:

PDF, 490 KB

english, 2005

Butyltin(IV) Benzoates: Inhibition of Thioredoxin Reductase, Tumor Cell Growth Inhibition, and Interactions with Proteins

Navakoski de Oliveira, Kely, Andermark, Vincent, von Grafenstein, Susanne, Onambele, Liliane A., Dahl, Gregor, Rubbiani, Riccardo, Wolber, Gerhard, Gabbiani, Chiara, Messori, Luigi, Prokop, Aram, Ott,

Журнал:

ChemMedChem

Рік:

2013

Мова:

english

Файл:

PDF, 642 KB

english, 2013

Strategies for 3D pharmacophore-based virtual screening

Thomas Seidel, Gökhan Ibis, Fabian Bendix, Gerhard Wolber

Журнал:

Drug Discovery Today: Technologies

Рік:

2010

Мова:

english

Файл:

PDF, 317 KB

english, 2010

In silico virtual screening approaches for anti-viral drug discovery

Manuela S. Murgueitio, Marcel Bermudez, Jérémie Mortier, Gerhard Wolber

Журнал:

Drug Discovery Today: Technologies

Рік:

2012

Мова:

english

Файл:

PDF, 385 KB

english, 2012

3D pharmacophore elucidation and virtual screening

Gerhard Wolber

Журнал:

Drug Discovery Today: Technologies

Рік:

2010

Мова:

english

Файл:

PDF, 69 KB

english, 2010

Benzimidazol-2-ylidene Gold(I) Complexes Are Thioredoxin Reductase Inhibitors with Multiple Antitumor Properties

Rubbiani, Riccardo, Kitanovic, Igor, Alborzinia, Hamed, Can, Suzan, Kitanovic, Ana, Onambele, Liliane A., Stefanopoulou, Maria, Geldmacher, Yvonne, Sheldrick, William S., Wolber, Gerhard, Prokop, Aram

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 3.04 MB

english, 2010

Pharmacophore Modeling and Virtual Screening for Novel Acidic Inhibitors of Microsomal Prostaglandin E 2 Synthase-1 (mPGES-1)

Waltenberger, Birgit, Wiechmann, Katja, Bauer, Julia, Markt, Patrick, Noha, Stefan M., Wolber, Gerhard, Rollinger, Judith M., Werz, Oliver, Schuster, Daniela, Stuppner, Hermann

Журнал:

Markt, Patrick, Feldmann, Clemens, Rollinger, Judith Maria, Raduner, Stefan, Schuster, Daniela, Kirchmair, Johannes, Distinto, Simona, Spitzer, Gudrun Maria, Wolber, Gerhard, Laggner, Christian, Altma

Рік:

2011

Мова:

english

Файл:

PDF, 3.19 MB

english, 2011

Discovery of Novel CB 2 Receptor Ligands by a Pharmacophore-Based Virtual Screening Workflow

Журнал: