Name: VI-SEEM REG LS: VI-SEEM e-Infrastructure services, Molecular Dynamics Simulations of Biomolecules and Computer-Aided Drug Design
Start: 2016-10-19T09:00:00+02:00
End: 2016-10-21T15:30:00+02:00
Location: Belgrade

VI-SEEM REG LS: VI-SEEM e-Infrastructure services, Molecular Dynamics Simulations of Biomolecules and Computer-Aided Drug Design

from Wednesday, 19 October 2016 (09:00) to Friday, 21 October 2016 (15:30)
Belgrade (Room 300)

: Sessions

: Talks

: Breaks

19 Oct 2016

20 Oct 2016

21 Oct 2016

09:00	Welcome -Dr Antun Balaž (Institute of Physics Belgrade) (until 09:15) (Room 300) slides
09:15	HPC usage and software packages - Dusan Vudragovic (Institute of Physics Belgrade) (until 10:00) (Room 300) slides
10:00	VI-SEEM Source Code Repository - Petar Jovanović (Institute of Physics Belgrade, Serbia) (until 10:30) (Room 300) slides
10:30	--- Coffee break ---
11:00	VI-SEEM Data Repository - Vladimir Slavnić (Institute of Physics Belgrade, Serbia) (until 11:30) (Room 300) slides
11:30	VI-SEEM Staging and Archiving - Petar Jovanović (Institute of Physics Belgrade, Serbia) (until 12:30) (Room 300) slides

09:30	Hands-on training - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 11:00) (Room 300)
11:00	--- Coffee break ---
11:15	Hands-on training: Molecular Dynamics Simulations using NAMD: 2. Equilibration - Cournia Zoe (Biomedical Research Foundation Academy Of Athens, Greece) (until 13:00) (Room 300)

09:30	Hands-on training - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 11:00) (Room 300)
11:00	Introduction to GROMACS - Cournia Zoe (Biomedical Research Foundation Academy Of Athens, Greece) (until 12:00) (Room 300)

12:30	--- Lunch ---
13:30	Related LS e-Infrastructure initiatives - Rossen Apostolov (KTH) (until 14:00) (Room 300)
14:00	Introduction to VI-SEEM LS services, workflows, applications, and data sets - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 14:30) (Room 300) slides
14:30	Coffee break (until 15:00) (Room 300)
15:00	Introduction to Computer Modeling of Biomolecules - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 16:30) (Room 300)
16:30	Hands-on training - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 18:00) (Room 300)
20:00	--- VI-SEEM Social Dinner ---

13:00	--- Lunch ---
14:00	Example of successful VI-SEEM application of Molecular Dynamics Simulations - Hrachya Astsatryan (Institute for Informatics and Automation Problems, National Academy of Sciences, Armenia) (until 14:30) (Room 300)
14:30	Hands-on training - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 17:00) (Room 300)

12:00	Introduction to Computer-aided drug design - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 13:00) (Room 300)
13:00	--- Lunch ---
14:00	Hands-on training - Zoe Cournia (Biomedical Research Foundation Academy Of Athens, Greece) (until 15:30) (Room 300)