10th September (Sunday)

11th  September (Monday)

12th September (Tuesday)

13th  September (Wednesday)

14th September (Thursday)

15th  September (Friday)

08:30-08:45

Travel from the hotel

Travel from the hotel

Travel from the hotel

Travel from the hotel

Travel from the hotel

08:45-09:00

Welcome and introduction (10')

09:00-10:00

Lecture 1 - MD basics (90')

Alessandra Villa

Lecture 3 - Integrative modelling with HADDOCK (90')

 Rogrigo Honorato

Lecture 4 - Enhance sampling (90')

 Erik Lindahl

Lecture 6 - Free energy calculation (90')

 Bert de Groot

AI lecture (AI)

online (60')

Jon Paul Janet

10:00-10:30

Coffee break (30')

10:30-11:00

Coffee break (30')

Coffee break (30')

Coffee break (30')

Coffee break (30')

Career session (60')

11:00-11:30

Tutorial 1: GROMACS (1h45')

Tutorial 3: HADDOCK (1h45')

Tutorial 4: GROMACS -  enhanced sampling (1h45')

Tutorial 6: PMX (1h 45')

11:30-12:00

Final remarks (30')

12:00-12:45

Lunch (take away for those leaving earlier) (60')

12:45-13:00

Lunch (75')

Lunch (75')

Lunch (75')

Lunch (75')

13:00-14:00

14:00-15:00

Lecture 2 - Interoperable and reproducible biomolecular simulation workflows using BioBB (90') Adam Hospital

Flash Talks (60')

Lecture 5 - Modeling molecular recognition through enhanced-sampling methods (90') Attilio Vargiu

QM/MM (60’)

Emiliano Ippoliti

15:00-15:30

Poster session I and II (with coffee break) (3h)

Poster Discussion (with coffee break) (1h)

15:30-16:00

Coffee break (30')

Coffee break (30')

16:00-17:45

Pick to airport

Tutorial 2: BioBB (1h45')

Tutorial 5: EDES (1h45')

Travel and excursion to Nora (3h)

17:45-18:00

Travel back to hotel

Travel back to hotel

18:00-18:15

Travel back to hotel

18:15-19:15

Bus from airport to Hotel

19:15-20:00

Registration @ Hotel

Travel and visit to Pula (1h)

20:00

Dinner @ Hotel

Dinner @ Hotel

Dinner @ Hotel

Dinner @ Hotel

Social dinner (Pula)