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Biomolekylär NMR: avancerade verktyg

Forskning

En avancerad praktisk onlinekurs (3 ECTS) för doktorander och forskare med projekt som innefattar molekylär karakterisering med hjälp av NMR.

Kurs
Datum
27 sep 2021 - 8 okt 2021
Plats
Online via Zoom och NMRbox
Kostnad
Gratis
Sista anmälningsdag
20 augusti 2021

Arrangör
Vladislav Orekhov, Martin Billeter, Göran Karlsson, Krzysztof Kazimierczuk

The course involves 8-10 half-days of in-class distance lectures, practical hands-on exercises, discussions, and individual work with the tools presented in the course.

Dates, Venue and Program

27 Sept - 8 Oct 2021; using Web, Zoom and NMRbox (details will be announced later) 

Target group

PhD students and researchers with projects involving bio-molecular characterization by NMR

Contact

Vladislav Orekhov, Martin Billeter, Göran Karlsson; Chemistry and Molecular Biology, Swedish NMR Centre, University of Gothenburg, Sweden; Krzysztof Kazimierczuk, Centre of New Technologies, University of Warsaw, Poland

Information

will be posted at www.gu.se/en/event/biomolecular-nmr-advanced-tools-0

Registration

Registration is closed

Registration for NMRbox (only for the students registered for the tutorial hands on sessions) 
Since this course will use NMRbox for the tutorial sessions, you must also register with NMRbox. Please complete the steps described at https://nmrbox.org/events/events/gothenburg-2021

Links to zoom sessions: 
•    Tutorial lectures 
•    Practical hands-on sessions 
•    Workshop on artificial intelligence in Magnetic Resonance [to be updated]

Course Certificates and ECTS credit points:    
To fully accomplish the course, the students should attend all tutorial lectures and practical sessions. For every practical session a short report should be submitted as outlined by the session instructors. After acceptance of the lab reports by the instructors, the course certificate can be requested by e-mail to bionmr2020@gmail.com 

Program

All times are given in Central European Summer Time, CEST (Berlin, Stockholm, Paris). 
For example, usual lecture time at 4 pm CEST corresponds to: 
7 am PST (San Francisco) / 10 am EST (New York) / 7.30 pm IST (India) / 10 pm CST (Peking)

Tutorial lectures

40 min including questions
Zoom for the tutorial lectures: link  

27 Sep, Mon    
15:30 – 16:40     Course start: intro 
Martin Billeter, (University of Gothenburg, Sweden), Assignments, a history
28 Sep, Tue    
16:00 – 16:40        Mei Hong, (MIT, USA), Protein Solid State NMR. 
29 Sep, Wed 
16:00 – 16:40        Peter Güntert, Piotr Klukowski, (ETH Zürich, Switzerland), Machine learning approach to fully automated protein structure determination directly from NMR spectra.
30 Sep, Thu     
16.30 - 18.30        Workshop on artificial intelligence in Magnetic Resonance, Jeffrey Hoch, Griesinger Christian, [separate zoom]
1 Oct, Fri         
16:00 – 16:40        Robert Konrat, (University of Vienna, Austria), NMR Probes for Disordered Proteins 
4 Oct, Mon     
16:00 – 16:40        Xiaobo Qu, (Xiamen University,  China) XCloud: AWeb-based Cloud Computing Platform for Artificial Intelligence NMR.
5 Oct, Tue     
16:00 – 16:40        Irena Matečko-Burmann , (University of Gothenburg, Sweden), In cell NMR
6 Oct, Wed     
16:00 – 16:40        Birthe B. Kragelund, University of Copenhagen, Disordered Protein Complexes 
7 Oct, Thu     
16:00 – 16:40        Riek Roland, (ETH Zürich, Switzerland), Multi-state structure determination

Tutorial hands-on sessions

3 hours sessions. Questions are possible only during “live” sessions. Tutorial recordings will be available shortly after the session end.
Zoom link for the live tutorial hands-on sessions: link


27 Sep, Mon    
17:00 – 20:00    Adam Schuyler, UConn Health, CT, USA, NMRbox tools (live)
28 Sep, Tue    
09:00 – 12:00    Krzysztof Kazimierczuk, Centre of New Technologies, University of Warsaw, Poland; 
Vladislav Orekhov, University of Gothenburg, Sweden, Daily NUS (live)
17:00 – 20:00    Krzysztof Kazimierczuk, Centre of New Technologies, University of Warsaw, Poland; 
Vladislav Orekhov, University of Gothenburg, Sweden, Daily NUS (repetition live)
29 Sep, Wed 
17:00 – 20:00    Peter Güntert, Piotr Klukowski, (ETH Zürich, Switzerland), Machine learning approach to fully automated protein structure determination directly from NMR spectra. Part I. (practical session; first part FLYA and CYANA; second part web-based ML-pipeline using demo data)* (live)
30 Sep, Thu 
09:00 – 12:00    Peter Güntert, Piotr Klukowski, (ETH Zürich, Switzerland), Machine learning approach to fully automated protein structure determination directly from NMR spectra. Part I. (practical session; first part FLYA and CYANA; second part web-based ML-pipeline using demo data.* (repetition live)
1 Oct, Fri    
09:00 – 12:00     Peter Guentert, Piotr Klukowski, (ETH Zürich, Switzerland), Machine learning approach to fully automated protein structure determination directly from NMR spectra. Part II. (individual zoom sessions with participants who have uploaded their own data to the web-based pipeline) (live)
17:00 – 20:00     Peter Guentert, Piotr Klukowski, (ETH Zürich, Switzerland), Machine learning approach to fully automated protein structure determination directly from NMR spectra. Part II. (repetition live)
4 Oct, Mon     
09:00 – 12:00     Robert Konrat, Clemens Kaufmann, (University of Vienna, Austria), Anna Zawadzka-Kazimierczuk, (University of Warsaw, Poland), CCR experiments and quantitative analysis (live)
17:00 – 20:00     Robert Konrat, Clemens Kaufmann, (University of Vienna, Austria), Anna Zawadzka-Kazimierczuk, (University of Warsaw, Poland), CCR experiments and quantitative analysis (repetition live)
5 Oct, Tue    
09:00 – 12:00     Xiaobo Qu, (Xiamen University,  China) XCloud: AWeb-based Cloud Computing Platform for Artificial Intelligence NMR (live)
6 Oct, Wed
09:00 – 12:00    Vladislav Orekhov (University of Gothenburg, Sweden), Dmitry Lesovoy (Russian Acad. Sci., Moscow). Less is more: Focused Spectroscopy (FOSY) (live)
17:00 – 20:00    Rafael Bruschweiler, Dawei Li (Ohio State University, OH, USA) DEEP Picker: strategy and practical applications of a deep neural network for the accurate analysis of complex NMR spectra. (live)
7 Oct, Wed
17:00 – 20:00    Vladislav Orekhov (University of Gothenburg, Sweden), Dmitry Lesovoy (Russian Acad. Sci., Moscow). Less is more: Focused Spectroscopy (FOSY) (repetition live)
 

* Participants can participate in the practical session with provided demo data, but may also to upload their own data (sequence and spectra). Participants who do that can then perform the fully automated structure determination in between the sessions I and II and schedule an individual session with the teachers on Oct 1 to answer specific questions and look at results obtained with their data.