Isolated biomolecules and biomolecular interactions

Berlin, June 12 - 17, 2010

Schedule

Saturday, June 12:

17:00 Registration and welcome reception at the Harnack Haus

Sunday, June 13:

9:00 Opening
9:15J.-P. Schermann A brief review of spectroscopic studies of biomolecular structures from gas-phase to living cells
10:00N.C. Polfer Peptides chasing their tails - what infrared spectroscopy can tell us about peptide dissociation chemistry
10:30HT: M.T. Rodgers Infrared multiphoton dissociation spectroscopy of protonated uracil and thiouracils: effects of thioketo-substitution on gas-phase conformation
10:50 Break
11:30T. Rizzo Using differential ion mobility as a conformational filter for cold ion spectroscopy
12:00R.A. Jockusch Fluorescence and photodissociation spectroscopy of mass-selected ions
12:30B. Paizs Cyclization and rearrangement reactions of fragment ions of protonated peptides: IRMPD and theoretical studies
13:00-14:30 Lunch
14:30M. Bonn Label-free, real-time studies on intermolecular interactions at model membranes using surface vibrational spectroscopy
15:00M.P. Gaigeot DFT-based molecular dynamics simulations for the interpretation of gas phase IR-MPD experiments of floppy peptides and for condensed phase IR experiments
15:30 Break
16:10HT: P.B. Armentrout Threshold collision-induced dissociation measurements of protonated peptides
16:30HT: M. Rossi Stability and (un)folding of a peptide helix in the gas phase from first-principles: Ac-Ala15LysH+
16:50HT: J. Oomens Structure of anionic peptides and their CID fragments
18:00 Dinner
20:00 Poster I

Monday, June 14:

9:00A.J.R. Heck Native mass spectrometry in viral structural biology and molecular systems biology
9:45B. Brutschy Macromolecular protein assemblies from the membrane and solution studied with LILBID-laser mass spectrometry
10:15HT: A. Lübcke Towards fs time-resolved photoelectron spectroscopy of biomolecules in aqueous solutions
10:35 Break
11:15D. van der Spoel Protein structure in the gas phase
11:45J.A. Loo Probing the fidelity between gas phase and solution phase protein structures with top-down mass spectrometry
12:15L. Konermann Protein structure and function studied by mass spectrometry
12:45-14:30 Lunch
14:30N.P. Ernsting Low-frequency vibrations due to biomolecular recognition of duplex DNA enhanced by solvent
15:00C. Ochsenfeld Intermolecular interactions in molecular systems with 1000 and more atoms - a challenge for quantum chemistry
15:30 Break
16:10HT: M. Schwell VUV spectroscopy of biological molecules produced by vaporization of nanoparticles: Bringing fragile neutrals to the gas phase
16:30HT: I. Compagnon UV spectroscopy of gas phase proteins
16:50HT: M.S. de Vries Photochemical selection in prebiotic chemistry of nucleobases
18:00 Dinner
20:00 Poster 2

Tuesday, June 15:

9:00M.T. Bowers Amyloid aggregation: the latest news
9:45C. Wu Predicting structures of small non-amyloid and amyloid proteins using molecular dynamics simulation in implicit water
10:15HT: K. Pagel Alternate dissociation pathways identified in charge-reduced protein complex ions
10:35 Break
11:15R.M.A. Heeren Ion mobility and molecular histology: New glasses for the doctor!
11:45G. Grégoire Probing the specific interactions and structures of gas-phase vancomycin antibiotics with cell-wall precursor through the combination of Ion Mobility Mass Spectrometry and IRMPD spectroscopy
12:15 B.T. Ruotolo Development of ion mobility-mass spectrometry as a high- throughput approach for structural genomics
12:45-14:30 Lunch
14:30J.S. Klassen Structure and stability of protein-ligand complexes in the gas phase
15:00HT: K.B. Bravaya Electronic structure of the ionized DNA bases clusters: the effects of H-bonding and stacking interactions.
15:20HT: S.V.K. Kumar Low energy electron interaction with duplex supercoiled and relaxed, and single stranded plasmid DNA
16:00 Excursion

Wednesday, June 16:

9:00 J. Simons Isolated carbohydrates and carbohydrate interactions
9:45 J.A. Leary Ion mobility investigations of carbohydrate:protein:metal non- covalent complexes
10:15HT: P. Çarçabal 100 keV proton irradiation of Halo-Uracils in the gas phase: Specific fragmentation channels revealed by coincidence measurements.
10:35 Break
11:15J. Bredenbeck Mixed IR/VIS multidimensional spectroscopies: chemistry and biophysics in realtime
11:45M. Gerhards IR/UV investigations on hydrated and aluminum containing peptides
12:15Y. Xu Spectroscopy of chiral molecules: from the gas phase to solution
12:45-14:30 Lunch
14:30J.L. Alonso Watching conformations of biomolecules: a microwave spectroscopy approach
15:00E. Nibbering Ultrafast generation of aqueous carbonic acid
15:30 Break
16:10HT: E.F. Aziz On the enzymatic activity of catalase: an iron L-edge X-ray absorption study of the active centre
16:30HT: D.M. Benoit Molecular conformation from vibrational spectra: anharmonicity is key!
16:50HT: F. Bierau Catching proteins in liquid helium droplets
18:00 Dinner