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Posters(last update Mar-15-2005)
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International Workshop
New Approaches in Drug Design & Discovery
Divide & Conquer :
Assembling Leads from Fragments - Disassembling Protein Complexes |
Iris Antes, Thomas Lengauer, Sarah Ulmschneider, Marieke Voets, and Rolf Hartmann ; MPI für Informatik, Saarbrücken
A new approach for molecular docking into homology modeled structures
(View or download abstract: PDF)
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Peter Block, Christof Gerlach, Gerhard Klebe; Department of Pharmceutical Chemistry, Philipps University Marburg, Germany
The temptation of high-throughput docking: Possible strategies and the development of required tools
(View or download abstract: PDF)
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Jörg Degen, Matthias Rarey; Zentrum für Bioinformatik, Universität Hamburg, Germany
FlexNovo: Structure-based searching in chemistry-spaces
(View or download abstract: PDF)
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Christine Dramburg, Ingo Dramburg, Christian Lemmen ; BioSolve IT GmbH, Germany
FTrees - Search fast, bridge scaffolds
(View or download abstract: PDF)
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Rute da Fonseca, Andre Melo, Maria Joao Ramos ; Requimte, Faculdade de Cincias do Porto, Portugal
Homology modelling and ligand binding study of human cytochrome P4501A2
(View or download abstract: PDF)
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Harald Mauser, Martin Stahl; F.Hoffmann-La Roche Ltd, Basel, Switzerland
Putting the pieces together: Application of fragment-based methods in lead generation
(View or download abstract: PDF)
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Seble Merid Mekonnen, Magne Olufsen, Arne Oskar Smalas, Bjorn Olav Brandsdal; The Norwegian Structural Biology Center, Department of Chemistry, University of Tromso, Norway
Predicting proteinase specificities from free energy calculations
(View or download abstract: PDF)
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Juri Pärn, Matthias Rarey; Zentrum für Bioinformatik, Universität Hamburg, Germany
2D visualizing and navigation in fragment-based chemistry spaces
(View or download abstract: PDF)
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Susana Pereira, Pedro Alexandrino Fernandes, Maria Joao Ramos; Requimte, Faculdade de Cincias do Porto, Portugal
Computational studies of the inhibition mechanism of ribonucleotide reductase
(View or download abstract: PDF)
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Anu J. Tervo, Toni Rönkkö, Antti Poso; Department of Pharmaceutical Chemistry, University of Kuopio, Finland
Molecular field-based fragment discovery
(View or download abstract: PDF)
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Nicola Ramsden, Lauris Kemp, Ruth Brenk, Bill Hunter; Division of Biological Chemistry and Molecular Microbiology, University of Dundee, Scotland
Virtual screening of 2C-methyl-D-erythritol-2,4-cyclodiphosphate (MECDP) synthase
(View or download abstract: PDF)
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Sonja Schlimme, Manfred Jung, Wolfgang Sippl; Institute for Pharmaceutical Chemistry, Martin-Luther-University, Halle, Germany
Molecular dynamics simulations and docking studies on histone deacetylases
(View or download abstract: PDF)
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Alexander W. Schüttelkopf, Daan M. F. van Aalten; School of Life Sciences, University of Dundee, Scotland
Lead optimisation with LIGTOR and PRODRG
(View or download abstract: PDF)
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Markus Seifert, Frank Schmitt, Thomas Herz, Bernd Kramer; 4SC AG, Germany
ProPose: A unified approach to virtual screening
(View or download abstract: PDF)
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Tanja Sgraja, Nicola Ramsden, William N. Hunter ; Division of Biological Chemistry and Molecular Microbiology, Wellcome Trust Biocentre, University of Dundee, Scotland
CDPME kinase - A target for structure-based inhibitor design against microbial diseases
(View or download abstract: PDF)
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J. J. Diaz-Mochon, L. Bialy, E. Specker, M. Bradley; School of Chemistry, University of Edinburgh, Scotland
Interfacing DNA arrays and combinatorial libraries for enzymatic screening
(View or download abstract: PDF)
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Sanja Tomic; Ruder Boskovic Institute, Zagreb, Croatia
Rational approach in modifying enzyme specificity
(View or download abstract: PDF)
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Jörg K. Wegner, Holger Fröhlich, Florian Sieker, Andreas Zell; Center for Bioinformatics Tübingen (ZBIT), University of Tübingen, Germany
Relevance of feature selection for clustering
(View or download abstract: PDF)
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Björn Windshügel, Johanna Jyrkkäarinne, Antti Poso, Paavo Honkakoski, Wolfgang Sippl; Institute for Pharmaceutical Chemistry, Martin-Luther-University Halle-Wittenberg, Germany
The basal activity of constitutive androstane receptor (CAR) - Homology modelling versus crystallisation
(View or download abstract: PDF)
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Peter J Winn, James N D Battey, Tomasz Religa, Amit Banerjee, Rebecca C Wade; EMLResearch gGmbH, Heidelberg, Germany
Highthroughput analysis of the conjugating enzymes (E2s) of ubiquitin and ubiquitin-like proteins
(View or download abstract: PDF)
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