The schedule may change depending on the interests and skills of registered participants - in particular, those that register early.
Day | Time | Activity A | Activity B |
---|---|---|---|
Friday | 9:00-10:30 | Mark Abraham: Introduction to BioExcel and Introduction to Molecular dynamics | |
Friday | 10:30-11:00 | Coffee break | |
Friday | 11:00-13:00 | Participant self-introduction | |
Friday | 13:00-14:00 | Lunch | |
Friday | 14:00-15:30 | Christian Blau: Lysozyme in Water Tutorial | Paul Bauer: How to contribute to the code and documentation |
Friday | 15:30-16:00 | Coffee break | |
Friday | 16:00-17:30 | Paul Bauer: Umbrella Sampling in GROMACS | |
Friday | 18:30-21:00 | Optional self-paying dinner | |
Saturday | 9:00-10:30 | Mark Abraham: Replica exchange molecular dynamics | |
Saturday | 10:30-11:00 | Coffee break | |
Saturday | 11:00-13:00 | Andrey Golovin: QM/MM Applications With GROMACS Rihards Kluga: Introduction to Metal Organic Frameworks |
|
Saturday | 13:00-14:00 | Lunch | |
Saturday | 14:00-15:30 | Vladislav Ivaništšev: MD simulations of ionic liquids Mark Abraham: Replica exchange hands on |
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Saturday | 15:30-16:00 | Coffee break | |
Saturday | 16:00-17:30 | Christian Blau: Alchemical Free energy calculations with PMX (slides courtesy of Bert de Groot and Vytautas Gapsys from Bioexcel summer school) Christian Blau: The accelerated weight histogram method, AWH (slides courtesy of Viveca Lindahl from Bioexcel summer school) |
Suggested nearby accomodation (Riga old town is very nice, but about 30 minutes away):