Structural Validation Workshop

WHEN:October 17–19, 2016, from 9:00

WHERE: A35/211 Univeristy Campus Bohunice, Brno and Biology Park, Studentská 6, Brno

Participants are asked to bring their own laptops.

Programme

Monday (October 17) A35/211, VENUE MAP

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
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
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

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