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
