|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.|
|Lecturers:|| dr. Christian Blau |
Theoretical and Computational Biophysic
KTH Royal Institute of Technology dr. Rodrigo Vargas Honorato
computational structural biology group
|The fee covers lunches as well as morning and afternoon coffees.|
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.
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.
Registration will open shortly!
Tentative programme - details to be added
Wednesday 9th October
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
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