Multi-Pole Approach to Structural Biology Conference

Multi-Pole Approach to Structural Biology Conference 1 List of contents General information...3-14 About conference...3 About city...3 Currency...4 How to get to Warsaw?...4 By plane...4 By train...4 How to travel in Warsaw?...5 Public transportation...5 Taxis...7 Maps...8-11 Conference information...12-23 Meeting venue...12 Address...12 Contact...12 Organizers...13 Emergency calls...13 Registration...14 Speaker s information...15 Poster presentation...16 Speakers list...16 Program...18-23

2 Under the honorary patronage of Minister of Science and Higher Education, Prof. Barbara Kudrycka and Their Excellencies: Lee Feinstein, Ambassador of the United States to the Republic of Poland Robert Kupiecki, Ambassador of the Republic of Poland to the United States Organizing institutions: International Institute of Molecular and Cell Biology in Warsaw University of Warsaw Institute of Bioorganic Chemistry, Polish Academy of Sciences Committee for Biochemistry and Biophysics, Polish Academy of Sciences

3 General information About conference The purpose of the conference is to discuss the advances of structural biology that have been promoted with the participation of scientists with Polish roots and/or with significant links to Poland. 35 invited lectures and 10 short talks to be selected from abstracts will be delivered by accomplished scholars and by young investigators, who have had successful scientific careers around the world, working in a general field of structural biology, including biocrystallography and structural bioinformatics. The conference intends to demonstrate that investing in science and science education is the best option for Poland and that Polish scientists can and do have very successful careers. For students and young researchers it will be a venue to find positive career models and inspiration for fascinating interdisciplinary research in structural biology. About the city Warsaw is among the greenest metropolises on the continent, with the Europe s wildest river gushing through the center of the city. During World War II Warsaw was reduced to rubble, nonetheless it was brought back to life and continues flourishing. Warsaw will be also a city hosting the UEFA EURO 2012 http://www.um.warszawa.pl/en http://wikitravel.org/en/warsaw http://pl.wikipedia.org/wiki/warszawa http://www.warsawsun.pl/

4 Currency The foreign currency can be exchanged into the official Polish currency (polski złoty PLN, zł) in banks and a lot of exchange points, most commonly located at the airports, railway and bus main stations. Below approximated exchange rates are presented: USD 1 $ 2,8 PLN EUR 1 4 PLN CHF 1 3,5 PLN CAD 1 C$ 3 PLN GBP 1 4,7 PLN Taxi drivers sometimes can accept euro or dollar notes, but probably they will not have the change. How to get to Warsaw? By plane Warsaw Frederic Chopin Airport (IATA: WAW, ICAO: EPWA) is located in the area of Okęcie in Włochy, some 10 km south of the center point of the city. For many years the airport used to be called just Okęcie, but this reportedly caused confusion and it was renamed. By train Warsaw has three stations for long-distance trains: Dworzec Centralny or Warszawa Centralna (Warsaw Central) ul. Emilii Plater

5 Dworzec Wschodni or Warszawa Wschodnia (Warsaw East) between ul. Kijowska and ul. Lubelska (on the right bank) Dworzec Zachodni or Warszawa Zachodnia (Warsaw West) Al. Jerozolimskie near Rondo Zesłańców Syberyjskich Unless you really know what you are doing, the best option is Dworzec Centralny (Warszawa Centralna) station, as it has the best connections with all the places in the city. All long-distance trains pass through this station and all stop there. It is the only long-distance station underground. It is not the last station on the route! How to travel in Warsaw? Pubic transportation In Warsaw exists expanded public transport network which involves trams, buses, metro (only one line), Szybka Kolej Miejska (SKM), Warszawska Kolej Dojazdowa (WKD), Koleje Mazowieckie (KM). The huge advantage is lack of separate tickets for every public transport unificated ticket is accepted in all public transportation except of KM. Below selected ticket fares are presented: One-way ticket costs 3,6 PLN (allows to travel by one line of selected type of transportation no time limitation) 20 or 40-minutes ticket costs 2,6 and 3,8 PLN respectively (allows to travel for only 20 or 40 minutes but with no limitations for changing of conveyance) 24-hours ticket costs 12 PLN (allows to travel for 24 hours with no limitations for changing of conveyance) 3-days ticket costs 24 PLN (allows to travel with no limitations up to 11:59pm of 3-rd day from the moment of validation)

6 The ticket should be validated immediately after getting on a bus/tram in a yellow validator located near the door or at the metro gate. All details concerning travelling by public transport in Warsaw can be found on ZTM web site (www.ztm.waw.pl) which is available in Polish, English, German and Russian. Selected transportation options are listed below: To get to the conference venue from the airport: By bus #175 stops at some of the major downtown hotels, the old town, the Warszawa Centralna Train Station, and Centrum shopping center. The trip takes 30-45 minutes, depending on traffic. Buses operate every 15 minutes during rush hour. Bus stop called Warszawski Uniwersytet Medyczny is the closest one to the conference venue. #188 operates between the airport and Praga Południe on the east bank, passing through to the south of the city center. This is a better choice if you just want to get to the metro. To get to the conference venue from the railway station: By bus #128 #175 #504 (bus stop called Warszawski Uniwersytet Medyczny is the closest one to the conference venue) By tram #7 #9 (bus stop called Dickensa is the closest one to the conference venue) To get to the conference venue from the Warsaw West Bus Station: By bus #172 (bus stop called Wiślicka is the closest one to the conference venue)

7 Check the maps on pages 8-11 You can also try to design your route using web page linked below: http://warszawa.jakdojade.pl/ http://wyszukiwarka.ztm.waw.pl/bin/query.exe/pn Taxis A few taxi corporation numbers are showed below: Sawa Taxi 22 644 44 44 WPT Radio Taxi 22 191 99 MPT 22 191 91 or 22 822 44 44 MERC-Taxi 22 677 77 77 ELE-Taxi 22 811 11 11 Taxi can be hailed on the street, but easier way to get one is to call it. It will take 5-7 minutes to arrive a taxi. Once inside make sure that the meter is running. The fare should be indicated as "1" between 6 a.m. till 10 pm. Or "2" if it is night. The meter is usually set at 6 PLN at the start and the rate is usually 2-2.4 PLN/km. Ask for a receipt at the end of the journey.

8 Maps Buses from the airport Get on bus stop Lotnisko Chopina ( Gocławek Wschodni or Pl. Piłsudskiego direction) Get off bus stop Warszawski Uniwersytet Medyczny

9 Buses from the railway station Get on bus stop Warszawa Centralna ( Os. Kabaty, Lotnisko Chopina or Szczęśliwice direction. For line 504 Uniwersytet Medyczny is request stop push the button near the door to inform bus driver that you want to get off) Get off bus stop Warszawski Uniwersytet Medyczny

10 Trams from the railway station Get on bus stop Warszawa Centralna ( Okęcie direction) Get off bus stop Dickensa

11 Bus from the Warsaw West Bus Station Get on bus stop Dworzec Zachodni ( Sadyba direction) Get off bus stop Wiślicka

12 Conference information Meeting venue Address NAŁĘCZ INSTITUTE OF BIOCYBERNETICS AND BIOMEDICAL ENGINEERING PAS UL. KS. TROJDENA 4 02-109 WARSZAWA POLAND The conference will take a place mainly in auditorium hall of Nałęcz Institute of Biocybernetics and Biomedical Engineering on the 4 Ks. Trojdena Street. Inside the same building exhibition hall for poster sessions and banquete hall will be available. GPS coordinates: latitude N52 12' 23.597" (52.20655), longitude E20 58' 46.5427" (20.97959) Contact Should you have any queries, please contact the Organizers: multipole-local[at]genesilico.pl International Institute of Molecular and Cell Biology in Warsaw Trojdena 4 02-109 Warsaw, Poland

13 Organizers Program Committee: Janusz Bujnicki Zbigniew Dauter Mariusz Jaskólski Wladek Minor Alexander Wlodawer Local Organizing Committee: Janusz Bujnicki Marcin Nowotny Roman Szczepanowski Krzysztof Woźniak Local Organizing Staff: Grzegorz Chojnowski Marcin Jaciuk Łukasz Kozłowski Marcin Magnus Łukasz Munio Dariusz Pianka Wojciech Potrzebowski Mirosław Śmietański Emergency calls From mobile phone 112 for all cases From stationary phone: - Ambulance 999 - Police 997 - Fire department 998

14 Registration 1. Meeting fee: Early registration (before September 15th) 500 PLN - regular fee 300 PLN - fee for students The early registration payment deadline (for participants registered BEFORE the early registration deadline): September 30th. Late registration (after September 15th) 600 PLN - regular fee 400 PLN - fee for students The meeting fee covers the participation in all sessions, workshop materials, coffee breaks and snacks. The meeting fee does NOT cover accommodation. Students are eligible for reduced fee only if they are formally registered into a Bsc/Msc/PhD school. Fee for accompanying persons is the same as regular fee. Poster abstracts will continue to be accepted after September 15th (late registrations) until we reach the limit of the venue. Selected talks and posters will be announced before September 21th.

15 2. All payments must be made by bank transfer to: Account Holder: Miedzynarodowy Instytut Biologii Molekularnej i Komorkowej ul. Ksiecia Trojdena 4 02-109 Warszawa Account Number: 21 1060 0076 0000 3210 0017 7900 IBAN: PL 21 1060 0076 0000 3210 0017 7900 SWIFT: BPHKPLPK VATIN: PL5262278704 Bank name: Bank BPH Spolka Akcyjna The title of the bank transfer MUST contain the applicant's LAST NAME, First name(s), and the keyword "MULTIPOLE" (e.g. SMITH John, MULTIPOLE) 3. All participants are encouraged to submit an abstract (one per person) for consideration as a poster and/or a talk. The meeting language is English and all abstracts must be submitted in English. Abstracts must be submitted using the online form below, using the [template]. The abstract must not exceed 1 page. Abstracts submitted by different means or misformatted will not be considered. Badges Poster presentation The size of poster must be 841mm (wide) and 1189mm (tall) - typical A0 size. Specific information regarding poster session venue will be announced later.

16 Speakers list Invited Conference Speakers (in alphabetical order): * Krzysztof Appelt, Great Lakes Pharmaceuticals Inc, Beachwood, OH, USA * Jacek BłaŜewicz, Poznan University of Technology, and Institute of Bioorganic Chemistry, PAS, Poznan, Poland * Matthias Bochtler, International Institute of Molecular and Cell Biology, Warsaw, Poland, and Cardiff University, UK * Marek Brzozowski, University of York, UK * Grzegorz Bujacz, Technical University of Lodz, Poland * Janusz Bujnicki, International Institute of Molecular and Cell Biology, Warsaw, and Adam Mickiewicz University, Poznan, Poland * Marek Cieplak, Institute of Physics, PAS, Warsaw, Poland * Mirosław Cygler, National Research Council, and University Of Montreal, Canada * Zbigniew Dauter, National Cancer Institute, NIH, Argonne, IL, USA * Zygmunt Derewenda, University of Virginia, Charlottesville, VA, USA * Krzysztof Fidelis, UC Davis Genome Center, CA, USA * Witold Filipowicz, Friedrich Miescher Institute for Biomedical Research, Basel, Switzerland * Krzysztof Ginalski, University of Warsaw, Poland * Adam Godzik, Sanford-Burnham Medical Research Institute, La Jolla, CA, USA * Paweł Grochulski, University of Saskatchewan, Canada * Mariusz Jaskólski, Institute of Bioorganic Chemistry, PAS, and Adam Mickiewicz University, Poznan, Poland * Andrzej Joachimiak, University of Chicago, IL, USA * Andrzej Kloczkowski, Iowa State University, Ames, IA, USA * Andrzej Koliński, University of Warsaw, Poland * Joanna Trylska, University of Warsaw, Warsaw, Poland

17 * Łukasz Lebioda, University of South Carolina, Columbia, SC, USA * Bogdan Lesyng, University of Warsaw, Warsaw, Poland * Krzysztof Lewinski, Jagiellonian University, Krakow, Poland * Adam Liwo, University of Gdansk, Poland * Jacek Lubkowski, National Cancer Institute, NIH, Frederick, MD, USA * Jarosław Meller, University of Cincinnati College of Medicine, Cincinnati Children's Hospital Research Foundation, OH, USA * Wladek Minor, University of Virginia, Charlottesville, VA, USA * Wiesław Nowak, University of Torun, Poland * Marcin Nowotny, International Institute of Molecular and Cell Biology, Warsaw, Poland * Zbigniew Otwinowski, UTSouthwestern Medical Center, Dallas, TX, USA * Teresa Przytycka, National Institutes of Health, Bethesda, MD, USA * Andrzej Sokalski, Wroclaw University of Technology, Poland * Alexander Wlodawer, National Cancer Institute, NIH, Frederick, MD, USA * Krzysztof Woźniak, University of Warsaw, Poland * Piotr Zielenkiewicz, Institute of Biochemistry and Biophysics, PAS, Warsaw, Poland

18 Program Wednesday, November 16 12:00-13:30 Registration open 13:30-14:00 conference opening (organizers, chairpersons) Session I: Practical applications of structural biology 14:00-14:25 Alexander Wlodawer Vacuolar plasmepsins - new targets for designing antimalarial drugs 14:25-14:50 Jacek Lubkowski Human glutamate carboxypeptidase II: an enzyme with multifaceted potential in cancer therapy 14:50-15:15 Krzysztof Appelt Application of X-ray crystallography in drug design 15:15-15:40 Grzegorz Bujacz Interaction of cysteine proteases with the parasite inhibitor chagasin 15:40-16:00 coffee break 16:00-16:15 short talk selected from abstracts (10 min + 5 min 16:15-16:30 short talk selected from abstracts (10 min + 5 min 16:30-16:45 short talk selected from abstracts (10 min + 5 min 16:45-17:10 Piotr Zielenkiewicz Inhibitors of the "sick" proteinprotein interactions in Cystic Fibrosis 17:10-17:35 Łukasz Lebioda Structure of human complement protein C8 and model of bacteriocidal membrane attack complex

19 17:35-18:00 Marek Brzozowski Sweet life and immortality: crossroads of diabetes, cancer and aging. 18:00-20:00 poster session, in parallel: presentation of CePT laboratories Thursday, November 17 Session II: Biocrystallography 09:00-09:25 Andrzej Joachimiak Quo vadis structural genomics and biology? 09:25-09:50 Zygmunt Derewenda How to effectively crystallize difficult proteins and their complexes: the Polish way 09:50-10:15 Paweł Grochulski Status and the future of structural biology at the Canadian Light Source 10:15-10:40 Mirosław Cygler Structural basis for Fe-S cluster assembly and trna thiolation mediated by IscS protein-protein interactions 10:40-11:00 coffee break 11:00-11:15 short talk selected from abstracts (10 min + 5 min 11:15-11:30 short talk selected from abstracts (10 min + 5 min 11:30-11:45 short talk selected from abstracts (10 min + 5 min 11:45-12:10 Mariusz Jaskólski Crystal structure of retroviral protease monomer solved by massive 'citizen science' effort 12:10-12:35 Krzysztof Lewinski High pressure in crystallographic investigations of protein structure

20 12:35-13:00 Wladek Minor HKL-3000 - toward the future of structural biology 13:00-14:00 lunch break Special session: highlight talks selected from abstracts 14:00-14:20 highlight talk selected from abstracts 14:20-14:40 highlight talk selected from abstracts 14:40-15:00 highlight talk selected from abstracts 15:00-15:20 highlight talk selected from abstracts 15:20-15:40 highlight talk selected from abstracts 15:40 16:00 coffee break 16:00-18:00 panel session: discussion about the future of Polish science 18:00-20:00 poster session, in parallel: presentation of CePT laboratories Friday, November 18 Session III: Structural bioinformatics 9:00-9:25 Krzysztof Fidelis Modeling of protein structure - CASP assessments of model quality 9:25-9:50 Joanna Trylska 9:50-10:15 Jarosław Meller What did we learn from solvent and lipid accessibility predictors? 10:15-10:40 Krzysztof Ginalski From protein sequence to structure and function 10:40-11:00 coffee break 11:00-11:15 short talk selected from abstracts (10 min + 5 min

21 11:15-11:30 short talk selected from abstracts (10 min + 5 min 11:30-11:45 short talk selected from abstracts (10 min + 5 min 11:45-12:10 Andrzej Kolinski Coarse-grained protein dynamics: folding pathways, flexibility and mechanical unfolding 12:10-12:35 Adam Liwo Construction and application of coarsegrained force fields for biomacromolecules 12:35-13:00 Andrzej Kloczkowski Improved coarse-grained potentials for protein structure prediction 12:45-14:00 lunch break Session IV: Nucleic acids 14:00-14:25 Zbigniew Dauter Rigidity of Z-DNA confirmed by its crystal structure at 0.55 A resolution 14:25-14:50 Teresa Przytycka Towards uncovering transcriptional role of non B-DNA structures 14:50-15:15 Jacek BłaŜewicz RNA Composer An automatic tool for RNA tertiary structure prediction 15:15-15:40 Janusz Bujnicki Structural bioinformatics of RNA and RNA-protein complexes 15:40-16:00 coffee break 16:00-16:15 short talk selected from abstracts (10 min + 5 min 16:15-16:30 short talk selected from abstracts (10 min + 5 min 16:30-16:45 short talk selected from abstracts (10 min + 5 min 16:45-17:10 Witold Filipowicz Mechanism and regulation of microrna-mediated repression in mammalian cells

22 17:10-17:35 Marcin Nowotny Structural studies of bacterial nucleotide excision repair 17:35-18:00 Matthias Bochtler A new CG methyltransferase 18:00-18:15 break Special session: young scientists talks 18:15-18:30 short talk selected from abstracts 18:30-18:45 short talk selected from abstracts 18:45-19:00 short talk selected from abstracts 19:00-19:15 short talk selected from abstracts 19:15-19:30 short talk selected from abstracts 19:30-19:45 short talk selected from abstracts 19:45-20:00 short talk selected from abstracts 20:00-23:59 banquet Saturday, November 19 Session V: From multi-pole expansion to complex systems 09:00-09:25 Andrzej Sokalski Atomic multi-pole expansion as the tool for rapid modeling of biomolecular interactions 09:25-09:50 Krzysztof Woźniak Quantitative experimental charge density studies of interactions in molecular crystals 09:50-10:15 Bogdan Lesyng From crystallographic probability distributions to causality analysis of molecular structural changes 10:15-10:40 Wiesław Nowak Stressful "life" of biomolecules - AFM and Steered MD studies of modular proteins' nanomechanics 10:40-11:00 coffee break

23 11:00-11:15 short talk selected from abstracts (10 min + 5 min 11:15-11:30 short talk selected from abstracts (10 min + 5 min 11:30-11:45 short talk selected from abstracts (10 min + 5 min 11:45-12:10 Marek Cieplak Denaturation of proteins near polar surfaces 12:10-12:35 Zbigniew Otwinowski From multi-pole expansion to higher-order biological structures 12:35-13:00 Adam Godzik Structural systems biology - adding 3D structure to cellular networks 13:00 snacks, departures...