QBIC-2

Date

Location

Scientific program

Invited speakers

• Margareta Blomberg , Stockholm university, Sweden: "Quantum mechanical modeling of enzymatic O-O bond cleavage"
• Paulo Carloni , SISSA, Trieste, Italy: "Second-shell ligands in Zn- and Cu-proteins "
• Tim Clark , University Erlangen-Nürnberg, Germany: "Semiempirical QM/MM studies on binuclear zinc enzyme reaction mechanisms"
• Robert. J. Deeth , Warwick university, UK: "Adventures in transition metal spin states: from simple Fe complexes to extradiol catechol dioxygenases"
• Richard A. Friesner, Columbia University, USA: "Quantum chemical modeling of metalloprotein active sites"
• Michael B. Hall , Texas A&M University, USA: "Modelling metalloenzymes: nickel-iron and iron-only hydrogenases"
• Pawel M. Kozlowski , University of Louisville, Kentucky, USA: "Quantum Chemical Modeling of Co-C Bond Activation in B₁₂-Dependent Enzymes"
• Carmay Lim , Academia Sinica, Taipei, Taiwan: "Protein-Metal Binding and Specificity:
  A Database and Ab initio/Continuum Dielectric Study"
• Feliu Maseras , University Autonoma Barcelona, Spain: "Quantum mechanical studies on the two modes of Co-C cleavage in B₁₂ cofactors"
• Kenneth M. Merz , Pennsylvania State University, USA: "Quantum chemical studies of metalloenzymes"
• Keiji Morokuma , Emory University, USA: "Computational studies of interaction and activation of dioxygen and hydrocarbons in methane monooxygenase and ribonucleotide reductase"
• Frank Neese, Max Planck Institute, Mulheim, Germany: "Metal-radical spin coupling in model systems as studied by density functional theory and Mössbauer spectroscopy"
• Lou Noodleman , Scripps Research Institute, USA: "Quantum Chemistry and Environmental Interactions for the MoFe cofactor in Nitrogenase Enzyme"
• Michele Parrinello , Max Planck Institute, Stuttgart, Germany: "Ab-initio simulation of enzymatic reactions"
• Carme Rovira , University of Barcelona, Spain: "Ligand binding properties of hemeproteins modeled by first principles molecular dynamics"
• Sason Shaik , The Hebrew University, Jerusalem, Israel: "Two-state reactivity of heme protein enzymes in monooxygenation"
• Edward. I. Solomon , Stanford University, USA: "Structure/Function Correlations over Non-heme Iron Enzymes"
• Arieh Warshel , University of Southern California, USA: "Recent advances in QM/MM and related approaches; More QM and more configurational sampling"
• Kazundari Yoshizawa , Kyoto University, Japan: "The role of dioxygen activation in alkane hydroxylation by cytochrome P450 and methane monooxygenase"

Posters

Abstracts

Travel information

• By air: Örenäs is close to the international Airports of  Copenhagen and Malmoe-Sturup. From Copenhagen you can easily go by train to Glumslöv: take a train towards Malmö (three times every hour at 13, 33, and 53). At Malmö C, you change to another train towards Helsingborg (line 2) which stops in Landskrona and Glumslöv  (during daytime, there is one train stopping in Glumslöv and two trains stopping in Landskrona every hour; connecting trains from Copenhagen H can also be seen in this time table; they come to Copenhagen airport 13 minutes later). From Malmoe-Sturup airport you have to take the bus to Lund, before you can go by train to Glumslöv (line 2 towards Helsingborg; see below).
• By train: Glumslöv (2 km from Örenäs, towards the sea). The railway stations in Helsingborg (17 km) and Landskrona (9 km) are also reasonably close to Örenäs. Take the local train (Pågatågen) between Malmö and Helsingborg, line 2 time table (note that line 3 goes also between Malmö and Helsingborg, but does not stop in Landskrona or Glumslöv). During daytime, there is one train stopping in Glumslöv and two trains stopping in Landskrona every hour (with connecting trains from Copenhagen airport, line 8; time table ). Tickets are available at vending machines close to the (blue) trains. There will be shuttle bus transport available at Glumslöv on the arriving day and a bus to Lund and Malmö the departure day. Please, note that Glumslöv is a rather small country-side station, and you are unlikely to find a taxi there. If you want to take a taxi to Örenäs, you should stop in Helsingborg instead.
  http://www.skanetrafiken.skane.se
  
• If you want come in contact with the shuttle bus, you can call 073 - 651 95 71 during the conference time (8.00 27 July to 18.00 29 July).
  
• By car: follow this link .
• Map with train lines and airports.
• Old large-scale map (1 km grid) of Glumslöv and Örenäs. The railway station is newer than the map, but the roads are there. 
• Description of the walking way from the railway station to Örenäs castle (2.2 km).
  Go out of the station.
  Turn left on the road S Kvistoftavägen (~100 m)
  Turn left on the road Heimdalsvägen (~200 m)
  Turn right on the road Ålabodsvägen.
  Follow this road straight ahead (even when it is closed for cars and is then overtaken by a newer version of the same road). It will become a country-side road. Follow it until you see the sign "Örenäs slott" (2 km).
  Turn left to Örenäs castle and go to the reception.
  

Deadlines (already passed)

• Registration closes: May, 31. The conference is already full (74 registered participants). 
• Abstract submission: June, 16 (closed)

Registration

Conference fee

• Conference fee 600 SEK (Swedish kronor, very roughly 60$)
• Full board and lodging at Örenäs castle, two nights: 2970 SEK single room; 2540 SEK double room.
• Coffee, lunch, and dinner at Örenäs castle the three conference days: 1345 SEK
• Youth hostel at Landskrona (10 km; shuttle bus will be available morning and evening) 2 nights: 400 SEK.

Cancellation
Registration fees, less 500 SEK for administration charges, will be refunded if cancellation is received in writing (fax +46 - 46 - 222 45 43) before June 16, 2002. After this date, all fees are non-refundable.
 

Related meetings

• QBIC-2 is an official  satellite conference of the 6th European Conference on Biological Inorganic Chemistry, EUROBIC-6 , to be held in Lund, Sweden, and Copenhagen, Denmark, July 30 to August 3, 2002.
• It follows immediately after the 35th International Conference on Coordination Chemistry, ICCC 35 in Heidelberg, July 21-26, 2002.
• The sixth World Congress of Theoretically Oriented Chemists, WATOC-6 , is held in Lugano, Switzerland, August, 4-9, 2002.

Climate

Information to lecturers

Preregistration

Responsibility

Organising committee

Local organising committee

Sponsors