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advanced-gromacs-workshop

Advanced Gromacs Workshop
Date: 09.10.2019 12:00 - 11.10.2019 13:00
Location details: The event is organised at the CSC Training Facilities located in the premises of CSC at Keilaranta 14, Espoo, Finland. The best way to reach us is by public transportation; more detailed travel tips are available.
Language: English
Lecturers: dr. Christian Blau
Theoretical and Computational Biophysic
KTH Royal Institute of Technology dr. Rodrigo Vargas Honorato
computational structural biology group
Utrecht University
Price:
  • 60 euros + VAT (24%) for Finnish universities, polytechnics and governmental research institutes
  • 280 euros + VAT (24%) for others
The fee covers lunches as well as morning and afternoon coffees.
12:00
The seats are filled in the registration order. If a cancellation is received five (5) business days prior to the course, the course fee will be refunded with the exception of a handling fee of 10 €. For no-shows and cancellations after the cut of date no refunds will be made. Registration can be transferred to someone else from the same organization without additional charge.

Payment can be made with electronic invoicing, credit card, or direct bank transfer. Note that for electronic invoicing you need the operator and e-invoicing address (OVT code) of your organization. Please also note that invoice reference is needed for electronic invoicing in your organization, so please have this available when registering.
Additional information
Content: atte.sillanpaa@csc.fi
Practicalities: event-support@csc.fi

The worshop will introduce HADDOCK, (High Ambiguity Driven protein-protein DOCKing) which is an information-driven flexible docking approach for the modeling of biomolecular complexes, and PMX which is a service for users who need to do free energy calculations. PMX utilizes the Gromacs classical molecular dynamics simulation engine to perform calculations at the background. The workshop also covers advanced usage of Gromacs itself in particular on HPC environment.

Upon registration participants are asked for special topics they are interested in which potentially could be covered at the workshop.

The event is organized in collaboration with BioExcel and CSC.

Registration will open shortly!

Program

Tentative programme - details to be added

Wednesday 9th October

12:00 Lunch
13:00 Gromacs - where are we now, what's new, what's coming in the future
14:00 Maximizing Gromacs performance for HTC and HPC
18:00 End of day 1

Thursday 10th October

9:00 PMX
12.00 Lunch
13:00 HADDOCK lecture + hands-ons
17:00 End of day 2

Friday 11th October

9:00 Getting deeper into introduced topics, participant contributions, working at participant's problems
12:00 Closing


Projects and Collaboration Networks
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Projects and Collaboration Networks
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