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First ERNEST Training School - June 15/16, 2021

​Computational Tools to Study GPCR Signaling:
From the Genomic to the Systems Level

The ERNEST Training School is dedicated specifically to the Mapping Group.


Event runs on Central European Summer Time (CEST).

All sessions and rooms are passcode-protected. Registrants receive their access info by email.

Registration closed.


Day 1: June 15, 2021

9:45 AM - 10:00 AM CEST  Welcome & Opening

Host: Jana Selent & Co-Host: Martha Sommer

10:00 AM - 12:00 PM CEST

Hands-On Session 1: Genomics Level


Presenter: Maria Marti Solano

We will explore genomics information on variants and polymorphisms which could impact receptor physiology and drug response. We will start to assess how these variants could influence receptor structure and function.


12:00 PM - 12:30 PM CEST Coffee Break

Meet your friends in the Networking Room


(enter passcode) 

12:30 PM - 13:30 PM CEST

Seminar: From 3D Structure to Function via Energy Functions


Presenter: Mickey Kosloff

We will explore how one can use 3D structures in different structural bioinformatics approaches. The concept of energy functions will be introduced, with emphasis on molecular dynamics. Additional approaches will be covered, such as knowledge-based approaches or other physics-based methods.

13:30 PM - 14:30 PM CEST Lunch Break

14:30 PM - 16:30 PM CEST

Hands-On Session 2: Structural Level


Presenter: Jana Selent

We will map information about polymorphisms obtained from the genomics level on a three-dimensional structure and probe their impact on receptor dynamics and ligand binding using molecular dynamics simulations.

16:30 PM - 18:00 PM Virtual Happy Hour

Meet Us in the Networking Room for Socializing Activities

Day 2: June 16, 2021

9:00 AM - 11:00 AM CEST Hands-On Session 3: Systems Level


Presenter: Maria Krantz

We will focus on the impact of particular polymorphisms at a systems level by using a simplified model of a GPCR signalling system integrating different receptor signaling parameters. This model will allow simulating how polymorphisms affect these different parameters to alter receptor function. 

11:00 AM - 11:30 AM CEST Coffee Break

Meet your friends in the Networking Room 

11:30 AM - 13:30 PM CEST

Hands-On Session 4: Data Level


Presenters: Ulrike Wittig and Maja Rey


We will provide a general overview about data management including storage, sharing, interlinking, publishing, and curation of scientific data. This will allow developing a framework to integrate data generated in session 1, 2 and 3. 

13:30 PM -  14:00 PM CEST Summary & Closing

Host: Jana Selent


Host: Jana Selent - Vice Chair of CA18133 ERNEST 

Pompeu Fabra University, Barcelona, Spain

Martha Sommer.jpg

Co-Host: Martha Sommer - Chair of CA18133 ERNEST Charité Medical University, Berlin, Germany

Max Delbrück Center for Molecular Medicine, Berlin, Germany


Presenter: Maja Rey

Heidelberg Institute for Theoretical Studies, Germany

Mickey Kosloff.jpg

Presenter: Mickey Kosloff

Department of Human Biology, University of Haifa, Israel

Maria Marti Solano.jpg

Presenter: Maria Marti Solano

MRC Laboratory of Molecular Biology, Cambridge, UK

Maria Krantz.jpg

Presenter: Maria Krantz

Theoretical Biophysics, Humboldt University, Berlin, Germany

Ulrike Wittig.jpg

Presenter: Ulrike Wittig

Heidelberg Institute for Theoretical Studies, Germany


Luise Wagner, ICTAC

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Tony Auth, ICTAC

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