Programme
Monday (October 17) A35/211, VENUE MAP | |
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9:00-10:00 |
Registration |
10:00-12:00 | Session 1: Introduction and warm-up |
Welcome, introduction of the MEDGENET project and practical information | |
Introduction of CEITEC (prof. Jaroslav Koča, CEITEC MU) | |
Introduction of Computional Chemistry research group (Dr. Radka Svobodová, CEITEC) | |
Introduction of EMBL-EBI and Protein Data Bank Europe (Dr. Sameer Velankar, EBI) | |
12:00-13:30 | Lunch |
13:30-15:00 | Session 2: Validation of topology – overview (Dr. Radka Svobodová, CEITEC) |
Motivation – why to validate | |
Topology and geometry validation | |
Topology validation – common analyses | |
Software tools MotiveValidator and ValidatorDB | |
15:00-15:30 | Coffee break |
15:30-17:00 | Session 3: Validation of topology - praxis |
Demo examples | |
Practical exercises |
Tuesday (October 18) Biology Park - meeting room, VENUE MAP | |
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10:00-12:00 | Session 4: Validation of geometry – overview (Dr. Sameer Velankar, Dr. Oliver Smart, EBI) |
Geometry validation – common analyses | |
Summary validation criteria | |
PDB Validation reports | |
12:00-13:30 | Lunch |
13:30-15:00 | Session 5: Validation of geometry – praxis |
Demo examples | |
Practical exercises | |
15:00-15:30 | Coffee break |
15:30-17:00 | Session 6: Validation perspectives |
Ligand validation – current state (Dr. Radka Svobodová, CEITEC) | |
Validation trends (Vladimír Horský, Dr. Radka Svobodová, CEITEC) | |
Future plans and directions in validation (Dr. Sameer Velankar, Dr. Oliver Smart, EBI) |
Wednesday (October 19) A35/211, VENUE MAP | |
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9:00-10:30 | Session 7: Future of data archiving |
Future of archiving (Dr. Sameer Velankar, EBI) | |
Big data and challenges (Dr. Sameer Velankar, EBI) | |
Data delivery and visualization (Dr. David Sehnal, CEITEC) | |
10:30-11:00 | Coffee break |
11:00-12:30 | Session 8: Protein Data Bank advances - praxis |
Demo examples | |
Practical exercises | |
Closing remarks | |
12:30-14:00 | Lunch |
Registration
Registration deadline is October 13