V Discussions 2006

Center for Biomolecules and Complex Molecular Systems
Institute of Physical Biology, University of Southern Bohemia, České Budějovice
CASTECH, Nové Hrady association for ennoblement of science and technology
Czech and Slovak Crystallographic Association

5th Discussions in Structural Molecular Biology

Abstracts of the talks and posters
List of participants

Program of the Meeting (March 16 – 18 2006)

Thursday, March 16
13:00 – 15:00 Registration

15:10 – 15:15 Introductory remarks

15:15 – 16:30 Lecture session I, chairman V. Sychrovský

Tomáš Obšil: Regulation by molecular interference: How 14-3-3 protein controls activity of forkhead transcription factor FOXO4
Karel Bezouška: Spectroscopy, mass spectrometry and NMR are essential tools in the production of soluble receptors of natural killer cells
Jiří Vlach: A single-point mutation of M-PMV matrix protein causes reorientation of protein domains and changes the phenotype of the virus
Zuzana Vokáčová: NMR parameters in RNA molecules and their correlation with molecular structure

16:30 – 17:00 Coffee break

17:00 – 17:45 Plenary lecture I, chairman V. Sychrovský

Bohdan Schneider: Structural Databases in Biology

18:15 – 22:30 Banquet

Friday, March 17
7:00 – 8:45 Breakfast

9:00 – 9:45 Plenary lecture III, chairman D. Štys

Rudiger Ettrich: Molecular systems biology: Molecular simulations of proteins and their complexes

9:45 – 10:15 Coffee break

10:15 – 12:00 Lecture session II, chairman D. Štys

Jan Florian: Computer Simulations of Protein Functions: Searching For the Molecular Origin of the Replication Fidelity of DNA Polymerases
Pavel Macek: Molecular dynamics study of major urinary protein-pheromone interactions: A structural model for ligand induced flexibility increase
Jiří Šebek: MD and Ab Initio Modeling of Electronic Spectra of N-methylacetamide and Peptides in Water Solutions
Peter Flecker: Molecular Modelling studies with Bowman Birk inhibitors
Michal Hušák: The use of GPU based calculations in structural biology
Patrik Florek: Bacterial programmed cell death – genetical, biochemical, and structural insight

12:15 – 14:00 Lunch

14:15 – 15:00 Plenary lecture IV, chairman B. Schneider

Jiří Šponer: Molecular simulations of RNA

15:00 – 15:30 Coffee break

15:30 – 17:15 Lecture session III, chairman B. Schneider

Matěj Lexa: The accuracy of domain boundary detection in proteins based on segment co-occurence compared to other methods
Peter Palenčár: Low-resolution crystal structure of photosystem II from Thermosynechococcus elongatus refined and studied by molecular dynamics
Jiří Brynda: From non-peptide towards non-carbon protease inhibitors: metallacarboranes as specific and potent inhibitors of HIV protease
Veronika Krejčiříková: Structural studies of galectin-4 N-terminal domain in complex with lactose
Daniel Svozil: DNA Conformational Families

17:45 – 18:45 Dinner

19:00 – 22:00 Poster session

Saturday, March 18
7:00 – 9:10 Breakfast

9:15 – 10:15 Plenary lecture V, chairman J. Brynda

Jan Dohnálek: Structure elucidation by diffraction methods – contribution to structural biology

10:15 – 10:30 Coffee break

10:30 – 11:50 Lecture session IV, chairman J. Damborský

Zbyněk Prokop: Discovery of Stereoselective Haloalkane Dehalogenase: New Tool for Assymetric Synthesis
Tomáš Mozga: Structure-enantioselectivity relationships of haloalkane dehalogenases
Radka Chaloupková: Physical variables as a control of enzyme stereoselectivity
Táňa Chrobáková: Engineering of enantioselective haloalkane dehalogenase by cumulative mutagenesis
Martin Klvana: Modelling of Product Release and Identification of Export Routes in Haloalkane Dehalogenase DhaA

11:50 – 12:15 Peter Šebo: Information about prospective Biochnological Institute of the AS CR

12:15 – 12:20 Concluding remarks

12:30 – 14:00 Lunch