Dates: 1.-3.6.2022
Location:
CSC Training Facilities & Online
Keilaranta 14
02100 Espoo
Description: Molecular dynamics (MD) simulations of lipid bilayers are nowadays used almost routinely to study various cell-membrane-related phenomena, such as drug–membrane interactions and lipid-mediated signaling. The aim of the NMRlipids summer school is to give introduction to MD simulations of lipid bilayers, and their quality evaluation against NMR spectroscopy and X-ray scattering data, as well as to the NMRlipids open collaboration project and the NMRlipids Databank. The course exercises demonstrate how lipid bilayer properties can be analysed over hundreds of trajectories in the NMRlipids Databank in automatic and flexible manner.
Target group: Students and researchers who are already using or are potentially interested in using MD simulations of lipid bilayers, open collaboration methods, or analysis of large publicly available datasets in their research. Particular focus of the summer school is the recently developed NMRlipids Databank, which enables novel analyses of publicly available MD simulation data also for researchers lacking special expertise in MD simulations. The summer school will be followed by a meeting for people interested in the NMRlipids Databank development.
Registration: Number of onsite attendees is limited to 20. Also online attendance will be possible. Please register via this link by 27th of May 2022:
Confirmed speakers:
Tiago Ferreira
Georg Pabst
Markus Miettinen
Samuli Ollila
Organizers:
Samuli Ollila (samuli.ollila (@) helsinki.fi)
Markus Miettinen
Preliminary program:
Wed 1.6.2022:
12.00-12.15 Samuli Ollila: Welcome words and opening of the meeting
12.15-13.15 Markus Miettinen: Introduction to lipid bilayer MD simulations and applications
13.15-14.15 Georg Pabst: Scattering experiments on lipid bilayers
14.15-14.30 Coffee break
14.30-16.00 Tiago Ferreira: NMR experiments on lipid bilayers
16.00-16.30 Coffee break
16.30-17.30 Markus Miettinen: NMRlipids project and open collaboration in biomolecular simulations
Thu 2.6.2022:
9.30-10.30 Samuli Ollila: NMRlipids databank
10.30-11.00 Coffee break
11.00-11.30 Alejandro Seco: From SuPepMem to NMRlipids databank: development of graphical user interface
11.30-12.00 Exercises on using the NMRlipids Databank (Samuli Ollila)
12.00-13.00 Lunch
13.00-13.10 Tommi Nyrönen: ELIXIR-talk
13.10-16.00 Exercises on using the NMRlipids Databank (Samuli Ollila)
16.00-18.00 Poster session / short presentations
Fri 3.6.2022:
9.30-10.30 Addition of data to the NMRlipids databank / form factors in quality evaluation
10.30-11.00 Coffee break
11.00-12.00 Addition of data to the NMRlipids databank / form factors in quality evaluation
12.00-13.00 Lunch
13.00-14.00 Next steps in the graphical user interface development
14.00-14.30 Coffee break
14.30-16.00 The first publication about the databank and future directions
16.00 Workshop ends
Study credits: 1 with poster or short report from excercises
Sponsors: Doctoral Programme in Materials Research and Nanoscience (MATRENA) and ELIXIR Finland