Computational tools to study GPCR signaling: From the genomic to the systems level

The ERNEST Training School will take place online from June 15 to 16 2021 and is dedicated specifically to the Mapping Group.

Event runs on Central European Summer Time (CEST). All sessions and rooms are passcode-protected – only open to registrants!

Day 1: June 15, 2021

09:45 – 10:00 Welcome & Opening

(Host: Jana Selent)


10:00 – 12:00 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 – 12:30 Coffee Break

Meet your friends in the Networking Room

12:30 – 13:30 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.

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13:30 – 14:30 Lunch Break

14:30 – 16:30 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 -18:00 Virtual Happy Hour

Meet Us in the Networking Room for Socializing Activities

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Day 2: June 16, 2021

09:00 – 11:00 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 – 11:30 Coffee Break

Meet your friends in the Networking Room


11:30 – 13:30 Hands-On Session 4: Data Level

(Presenter: Ulrike Wittig)

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 –  14:00 Summary & Closing


COST (European Cooperation in Science and Technology) is a funding agency for research and innovation networks. Our Actions help connect research initiatives across Europe and enable scientists to grow their ideas by sharing them with their peers. This boosts their research, career and innovation.

COST Action CA18133

All cells face the vital challenge of sensing their environments and responding in appropriate ways. How are different signalling pathways activated and modulated in precise and reproducible ways? Filling this gap in knowledge is absolutely necessary to advance the next generation of pharmaceutical drugs.

COST Action

COST Action

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