Annual Molecular Modelling Workshop & Annual International Meeting of the MGMS
|
|
Model(l)ing´09 Annual Molecular Modelling Workshop & Annual International Meeting of the MGMS |
|
|||
| FAU Erlangen-Nürnberg: Department Chemie und Pharmazie | |||||
|
|
| Sunday September 6th | |||
| 12:00 - 14:00 | Molecular Modeling Workshop Registration MGMS-DS Board Meeting |
||
| 14:00 - 18:05 | Molecular Modeling Workshop Lectures: (Organic Chemistry Building, Henkestrasse 42) |
||
| 14:00 - 14:25 | Caroline Becker | Saarland University, Saarbrücken | Design of Protein Interaction Surfaces: Prediction of Mutational Effects on Protein-Protein Binding |
| 14:25 - 14:50 | Alexander Metz | University of Düsseldorf | From structures to hot-spots to inhibitors. Knowledge-driven design of peptidomimetic modulators of a protein-protein interaction |
| 14:50 - 15:15 | Gudrun Spitzer | University of Innsbruck, Austria | Minor Groove of DNA as Target for Drug Design |
| 15:15 - 15:40 | Sebastian Schenker | University of Erlangen-Nürnberg | tba |
| 15:40 - 16:00 | coffee break | ||
| 16:00 - 16:25 | Jana Selent | Universitat Pompeu Fabra, Barcelona, Spain | Molecular Simulation of Sodium Ions at their Allosteric Binding Sites in the Dopaminergic D2 Receptor |
| 16:25 - 16:50 | Simone Fulle | University of Düsseldorf | Shedding light into the ribosomal exit tunnel via flexibility analysis and molecular dynamics simulation |
| 16:50 - 17:15 | Michael Kreim | Technische Universität Darmstadt | Equilibration time of transmembrane potentials in ion channel simulations |
| 17:15 - 17:40 | Mima Staikova | University of Toronto, Canada | tba |
| 17:40 - 18:05 | Björn Sommer | University of Bielefeld | CELLmicrocosmos 2.1 Workshop: Applications in simplified Modeling of three-dimensional PDB Membranes |
| 19:00 - 22:00 | Poster Session (Abstracts) and Buffet (Organic Chemistry Building, Henkestrasse 42) |
||
| up | |||
| Monday September 7th | |||
| 9:00 - 17:00 | Molecular Modeling Workshop Lectures: (Organic Chemistry Building, Henkestrasse 42) |
||
| 9:00 - 9:25 | Robert Günther | University of Leipzig | Comparing Apples and Oranges - How Reliable Are Molecular Docking Tools? |
| 9:25 - 9:50 | Elodie Laine | Institut Pasteur, Paris, France | Structural mobility of the anthrax toxin and search for inhibitors |
| 9:50 - 10:15 | Michael Hutter | Saarland University, Saarbrücken | Bioisosteric Similarity of Drugs in Virtual Screening |
| 10:15 - 10:40 | Thomas Steinbrecher | Rutgers University, USA | Towards the Application of Free Energy Calculations in Drug Design |
| 10:40 - 11:00 | coffee break | ||
| 11:00 - 11:25 | Kerstin Hoehfeld | Boehringer Ingelheim, Biberach | A Systematic Search for Scaffold Hops in PubChem |
| 11:25 - 12:15 | Invited Lecture: Peter Ertl |
Novartis Institutes for BioMedical Research, Basel, Switzerland | Estimation of synthetic accessibility score of drug-like molecules |
| 12:15 - 14:00 | lunch break | ||
| 14:00 - 14:25 | Daniele Narzi | Saarland University, Saarbrücken | Evidence for Proton Shuffling in a Thioredoxin-Like Protein during Catalysis |
| 14:25 - 14:50 | Jochen Heil | Technische Universität Darmstadt | Prediciton of aqueous acidities and tautomer ratios by embedded cluster integral equation theory |
| 14:50 - 15:15 | Arun K Subramanian | University of Reading, UK | Unique Water Entering Path into Secretary Phospholipase A2 Active Site |
| 15:15 - 15:40 | Tuhin K Pal | Indian Institute of Technology, Kanpur, India | In silico Mutations of Self-contacting Asp in a Protein DD-transpeptidase: Effects Probed by Molecular Dynamics Simulations |
| 15:40 - 16:00 | coffee break | ||
| 16:00 - 16:25 | Hakan Kayi | University of Erlangen-Nürnberg | Parameterization of AM1* |
| 16:25 - 16:50 | Jörg Grunenberg | Selectivity in Carbohydrate Recognition: The Role of the Anomeric Effect | |
| 17:00 - 18:00 | MGMS-DS General Meeting | ||
| 19:00 - 22:00 | Model(l)ing 2009 Registration and Mixer/Exposition
(Organic Chemistry Building, Henkestrasse 42) |
||
| up | |||
| Tuesday September 8th | Accompanying Persons Program |
||
| 9:00 - 10:00 | Frank Neese | Rothenburg ob der Tauber | |
| 10:00 - 10:30 | coffee break | ||
| DRUG DESIGN 1 | METHODS-QUANTUM | ||
| 10:30 - 11:00 | Curt Breneman | Tomasz Wesolowski | |
| 11:00 - 11:30 | Robert Klein | Andreas Görling | |
| 11:30 - 12:00 | Thierry Langer | Marek Sierka | |
| 12:00 - 12:30 | Frank Böckler | Robert Berger | |
| 12:30 - 14:00 | lunch time | ||
| 14:00 - 15:00 | Richard Catlow | ||
| 15:00 - 15:30 | coffee break | ||
| DRUG DESIGN 2 | METHODS-CLASSICAL | ||
| 15:30 - 16:00 | Peter Gmeiner | Jon Essex | |
| 16:00 - 16:30 | Dave Ritchie | Rob Deeth | |
| 16:30 - 17:00 | Christian Kramer | Matthias Ullmann | |
| 17:00 - 17:30 | Alex Tropsha | Yves Muller | |
| 17:30 - 19:30 | Poster Session 1 (Abstracts) | ||
| up | |||
| Wednesday September 9th | Accompanying Persons Program |
||
| 9:00 - 10:00 | Leo Radom | Bamberg | |
| 10:00 - 10:30 | coffee break | ||
| DRUG DESIGN 3 | MATERIALS | ||
| 10:30 - 11:00 | Mike Hann | Paul Cox | |
| 11:00 - 11:30 | Dave Winkler | Dirk Zahn | |
| 11:30 - 12:00 | Gisbert Schneider | Christoph Jäger | |
| 12:00 - 12:30 | Trevor Howe | Klaus Mecke | |
| 12:30 - 14:00 | lunch time | ||
| 14:00 - 15:00 | Arieh Warshel | ||
| 15:00 - 15:30 | coffee break | ||
| BIOPOLYMERS 1 | PERSPECTIVES | ||
| 15:30 - 16:00 | Harald Lanig | Andrew Torda | |
| 16:00 - 16:30 | Thomas Exner | Dirk Guldi | |
| 16:30 - 17:00 | Johan Åqvist | Holger Gohlke | |
| 17:00 - 17:30 | Rainer Böckmann | Marcus Meuwly | |
| 17:30 - 19:30 | Poster Session 2 (Abstracts) | ||
| 20:00 | Entlas Keller (Erlangen Biergarten) | ||
| up | |||
| Thursday September 10th | Accompanying Persons Program |
||
| 9:00 - 10:00 | Pavel Jungwirth | Hugenottenstadt Erlangen | |
| 10:00 - 10:30 | "Historic Reflections" (Frank Blaney) | ||
| 10:30 - 11:00 | coffee break | ||
| BIOPOLYMERS 2 | REACTION MECHANISMS 1 | ||
| 11:00 - 11:30 | Frank Blaney | Tatyana Shubina | |
| 11:30 - 12:00 | Heinrich Sticht | Per Siegbahn | |
| 12:00 - 12:30 | Jiri Sponer | Martin Kaupp | |
| 12:30 - 13:00 | Charlie Laughton | Michael Bühl | |
| 13:00 - 14:30 | lunch time | ||
| 14:30 - 18:30 | Excursion (Nuremberg) | ||
| 19:00 | Dinner (Nuremberg Castle) | ||
| up | |||
| Friday September 11th | Accompanying Persons Program |
||
| 9:00 - 10:00 | Andreas Hirsch | Fränkische Schweiz Forchheim/Kaiserpfalz |
|
| 10:00 - 10:30 | coffee break | ||
| FUNCTION OF PROTEINS | REACTION MECHANISMS 2 | ||
| 10:30 - 11:00 | Kennie Merz | Tore Brinck | |
| 11:00 - 11:30 | Andreas Göller | Rainer Koch | |
| 11:30 - 12:00 | Nigel Richards | Peter Politzer | |
| 12:00 - 12:30 | Wolfgang Brandt | Hendrik Zipse | |
| 12:30 - 14:00 | lunch time | ||
| 14:00 - 15:00 | Claus-Wilhelm von der Lieth Medal (MGMS-DS) |
||
| 15:00 - 15:20 | Poster prizes and close | ||
| up | |||
Last update:
