Exploring Biomolecular Modeling and Simulations
9 Nisan 2025 Çarşamba (09:00)
tarihinden
10 Nisan 2025 Perşembe (17:00)
tarihine
7 Nisan 2025 Pazartesi
8 Nisan 2025 Salı
9 Nisan 2025 Çarşamba
09:00
Welcome
Welcome
09:00 - 09:15
Room: Room number:104-105
09:15
TRUBA Supercomputer Access: Step-by-Step Guidance from HPC Experts
-
Bahar Görgün
(
TÜBİTAK ULAKBİM
)
TRUBA Supercomputer Access: Step-by-Step Guidance from HPC Experts
Bahar Görgün
(
TÜBİTAK ULAKBİM
)
09:15 - 10:00
Room: 104-105
10:00
Integrative modelling of biomolecular complexes with HADDOCK
-
Alexandre Bonvin
(
BioExcel - University of Utrecht, The Netherlands
)
Integrative modelling of biomolecular complexes with HADDOCK
Alexandre Bonvin
(
BioExcel - University of Utrecht, The Netherlands
)
10:00 - 11:00
11:00
Coffee Break
Coffee Break
11:00 - 11:30
11:30
Hands-on - Integrative modelling of biomolecular complexes with HADDOCK
-
Raphaelle Versini
Alexandre Bonvin
(
BioExcel (University of Utrecht, The Netherlands)
)
Hands-on - Integrative modelling of biomolecular complexes with HADDOCK
Raphaelle Versini
Alexandre Bonvin
(
BioExcel (University of Utrecht, The Netherlands)
)
11:30 - 13:00
13:00
Lunch Break
Lunch Break
13:00 - 14:00
14:00
Molecular Dynamics Simulations – GROMACS
-
Nandan Haloi
Molecular Dynamics Simulations – GROMACS
Nandan Haloi
14:00 - 14:45
14:45
Coffee Break
Coffee Break
14:45 - 15:15
15:15
Hands-on (Molecular Dynamics Simulations – GROMACS)
-
Nandan Haloi
Hands-on (Molecular Dynamics Simulations – GROMACS)
Nandan Haloi
15:15 - 17:15
10 Nisan 2025 Perşembe
10:00
Interoperable and reproducible biomolecular simulation workflows using BioExcel Building Blocks (BioBB)
-
Adam Hospital
(
Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and Spanish National Institute of Bioinformatics (INB, ELIXIR-ES)
)
Interoperable and reproducible biomolecular simulation workflows using BioExcel Building Blocks (BioBB)
Adam Hospital
(
Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and Spanish National Institute of Bioinformatics (INB, ELIXIR-ES)
)
10:00 - 11:00
11:00
Coffee Break
Coffee Break
11:00 - 11:30
11:30
Hands on - Interoperable and reproducible biomolecular simulation workflows using BioExcel Building Blocks (BioBB)
-
Adam Hospital
(
Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and Spanish National Institute of Bioinformatics (INB, ELIXIR-ES)
)
Hands on - Interoperable and reproducible biomolecular simulation workflows using BioExcel Building Blocks (BioBB)
Adam Hospital
(
Institute for Research in Biomedicine in Barcelona (IRB-Barcelona) and Spanish National Institute of Bioinformatics (INB, ELIXIR-ES)
)
11:30 - 13:00
13:00
Lunch Break
Lunch Break
13:00 - 14:00
14:00
Fundamentals and practical use cases of free energy calculations with PMX
-
Sudarshan Behera
(
Max Planck Institute for Multidisciplinary Sciences, Goettingen
)
Fundamentals and practical use cases of free energy calculations with PMX
Sudarshan Behera
(
Max Planck Institute for Multidisciplinary Sciences, Goettingen
)
14:00 - 15:00
15:00
Coffee Break
Coffee Break
15:00 - 15:30
15:30
Hands on - Fundamentals and practical use cases of free energy calculations with PMX
-
Sudarshan Behera
(
Max Planck Institute for Multidisciplinary Sciences, Goettingen
)
Hands on - Fundamentals and practical use cases of free energy calculations with PMX
Sudarshan Behera
(
Max Planck Institute for Multidisciplinary Sciences, Goettingen
)
15:30 - 17:00