Download Full 3DSIG Program (with abstracts included for all presentations) in Printable PDF Format
Time
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ID
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Title
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Presenting author
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Page
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Day 1
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8:55
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Opening remarks
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Session 1 - Protein Structure Part I ( Rafael Najmanovich - Chair)
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9:00
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K05
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Looking for quality...
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Anna Tramontano
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9
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9:30
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15
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Comparative protein structure modeling by combining of multiple templates and optimizing sequence-to-structure alignments
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Andras Fiser
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27
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9:50
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13
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Charting the evolution of structural information
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Iakes Ezkurdia
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25
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10:10
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66
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NQ-Flipper: Validation and Correction of Asparagine/Glutamine Amide Rotamers in Protein Crystal Structures
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Christian X Weichenberger
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70
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10:30
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Coffee
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Session 2 - Protein function Part I (Dietlind Gerloff - Chair)
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11:00
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K02
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Protein structure, function and interactions - basic research and applications
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Thomas Lengauer
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7
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11:30
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38
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Density-based characterization of hot spots by computational fragment mapping and its application to accurate three-dimensional pharmacophore generation
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Melissa R. Landon
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47
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11:50
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61
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firestar and FireDB - structure-based prediction of functionally important residues
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Michael Tress
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66
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12:10
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Lunch & Poster/Laptop session (even ID numbers)
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Session 3 - Binding sites, ligands & interactions Part I (Melissa Landon - Chair)
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15:00
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K04
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Protein - Ligand Interactions
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Janet Thornton
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8
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15:30
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19
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Finding and Extracting Active Site Cavities in Proteins
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Thomas A. Funkhouser
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31
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15:50
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56
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Moment Invariants as Shape Recognition Technique for Comparing Protein Binding Sites
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Ingolf Sommer
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61
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16:10
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29
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The Variation of Geometrical and Physicochemical Properties in Protein Binding Pockets
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Abdullah Kahraman
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39
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16:30
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Coffee
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Session 4 - Binding sites, ligands & interactions Part II (Krzysztof Fidelis - Chair)
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17:00
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43
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3-D atomic similarities and the prediction of ligand-binding
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Rafael Najmanovich
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50
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17:20
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26
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An exhaustive analysis of analogies in protein binding sites of known structure
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Manuela Helmer-Citterich
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38
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17:40
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Discussion I - Past and future contributions of computational studies to understanding biological macromolecules (Roland Dunbrack - Discussion Leader)
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18:30
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Pre-dinner break
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19:30
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Dinner - Hilton Vienna Stadtpark (Park Congress Room - ground level)
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21:00
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Post-dinner scientific event - Careers in Computational Biology - Anna Tramontano (discussion leader) and other discussants
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Day 2
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Session 5 - Protein Interfaces Part I (John Moult - Chair)
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9:00
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K01
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Better than Chance: the importance of null models in bioinformatics
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Kevin Karplus
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7
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9:30
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11
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Instrinsically unstructured proteins in complexes
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Zsuzsanna Dosztanyi
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24
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9:50
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12
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Structural bioinformatics identifies probable biologically relevant interfaces in protein crystals
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Roland Dunbrack
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24
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10:10
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36
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Detection of Macromolecular Asssemblies in Crystalline State using Principles of Chemical Thermodynamics
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Eugene Krissinel
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44
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10:30
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Coffee
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Session 6 - Protein Interfaces Part II (Michael Tress - Chair)
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11:00
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K09
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New Approaches to Protein-Protein Docking
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Sandor Vajda
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10
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11:30
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20
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1D-surface profiles: a simplified representation of electro-static model surfaces for protein interaction prediction
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Dietlind L Gerloff
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32
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11:50
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39
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Determining the configuration of high-resolution components in a cryoEM map of their assembly
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Keren Lasker
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47
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12:10
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Lunch & Poster/Laptop session (odd ID numbers)
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Session 7 - Protein Function Part II (Ron Unger- Chair)
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15:00
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K03
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Evolution teaches protein function prediction
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Burkhard Rost
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8
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15:30
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02
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Enzyme function evolution: Mapping catalytic mechanisms to structural domains
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Daniel E. Almonacid
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18
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15:50
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03
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A new approach for flexible ligand - flexible receptor docking
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Iris Antes
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19
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16:10
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54
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Computational Design of D-Peptides that Target Transmembrane Helices
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Joanna S. Slusky
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60
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16:30
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Coffee
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Session 8 - Protein Structure Part II ( - Chair)
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17:00
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46
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VAMSAS: Bridging the gaps between the analysis of DNA, Protein Sequences and Protein Structure
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James Proctor
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53
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17:20
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67
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A computational representation and quantitative analysis of functional mechanisms of the molecular machines responsible for intrtcellular signaling at the cell membrane signaling
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Harel Weinstein
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70
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17:40
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Discussion II - 10 suggested discussion topics will be distributed before the meeting, and on Day 1 we will vote on these and with any additional audience suggestions. The discussion will cover the five most requested topics, where the discussion leader will ask five participants to introduce the topics. (John Moult - Discussion Leader)
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18:30
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End of 3DSig 2007
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