Biomolecular NMR: Advanced tools, Machine learning

Venue:     Swedish NMR Centre, University of Gothenburg, Sweden
                Webinar & NMRbox.org

Target group:     PhD students and researchers with projects involving protein characterization by NMR

Format:  Lectures, discussions, and practical hands-on exercises.

Organizers and Contacts: Vladislav Orekhov, Göran Karlsson; Chemistry & Molecular Biology & Swedish NMR Centre, University of Gothenburg, Sweden; Ilya Kuprov, University of Southampton, UK

Registration:   the registration is free; send your contact info and a motivation to attend the course (max 1 page) to vladislav.orekhov [at] nmr.gu.se,  deadline – 14 Aug 2023;                    

Number of participants for the hands-on sessions is limited. 

Subsidized accommodation in double rooms is available. Please indicate if you need it.

Teachers:    

Simon Bruderer (Bruker BioSpin, Switzerland)

Vladislav Orekhov, Amir Jahangiri (University of Gothenburg, Sweden)

Rafael Bruschweiler, Dawei Li (Ohio State University, USA)

D. Flemming Hansen,  (UCL, London, UK)

Ilya Kuprov, (University of Southampton, UK) 

Xiaobo Qu, (Xiamen University,  China)

Giulio Tesei, (University of Copenhagen, Denmark)

Björn Wallner (Linköping University, Sweden)

Hannah K. Waymen t-Steele (Brandeis University, USA)

Topics:

Machine Learning basics
AlphaFold  for protein structure and dynamics
Conformational ensembles of the human IDP proteome
NUS spectra by neural networks
Non-stationary NMR
NMR spectral analysis by machine-learning techniques
Advanced database searching

Program Mini-conference 27th of Sept 2023

09.40 – 10.00 Coffee

Session I, Chair: Göran Karlsson (University of Gothenburg, Sweden)
10.00 – 10.30 Title TBA. Simon Bruderer, (Bruker Biospin, Switzerland)

10.30 – 11.00 The functional dynamics of K-Ras and its G12C and G12D oncogenic mutants. Rafael Bruschweiler, (Ohio State University, USA)

11.00 – 11.30 Predicting alternate conformational states with AlphaFold2 and sequence clustering. Hannah K Wayment-Steele (Brandeis University, USA)

11.30 – 12.00 Magnetstein. Quantitative NMR mixture analysis robust to low-resolution, disturbed lineshapes, and peak shifts. Krzysztof Kazimierczuk (University of Warsaw, Poland)

12.00 – 13.20 Lunch

Session II, Chair: Krzysztof Kazimierczuk (University of Warsaw, Poland)
13.20 – 13.50 Title TBA. Ilya Kuprov, (University of Southampton, UK)

13.50 – 14.20 Beyond traditional NMR signal processing with Deep Learning. Vladislav Orekhov, (University of Gothenburg, Sweden)

14.20– 14.50 Conformational ensembles of the intrinsically disordered proteome. Giulio Tesei, (Copenhagen University, Danmark)

14.50– 15.20 Using deep learning to unleash the full potential of NMR spectroscopy. D. Flemming Hansen, (UCL, London, UK)