Transforming the World

through Mathematics

Workshop

Exploring Calcium Channel Dynamics:
From Molecular Insights to Macroscopic Ion Flow

October 14 – October 15, 2024

This workshop is related to the MATH+ projects AA1-14 and AA1-15.

The workshop is organized in cooperation with CRC 1114 Scaling Cascades in Complex Systems (projects B05 and C03).

Organizers

Jürgen Fuhrmann (WIAS)

Christine Keller (WIAS)

Manuel Landstorfer (WIAS)

Barbara Wagner (WIAS)

Marcus Weber (ZIB)

Stefanie Winkelmann (ZIB)

Invited Speakers

Bob Eisenberg (Rush University)

Christoph Stein (Charité)

Alexander Walter (University of Copenhagen)

Illustration of an ion channel on the molecular scale

Representation of an ion channel’s dynamics in its environment

Scientific Scope

This workshop aims to explore the mechanisms of ion channels from various perspectives, including molecular dynamics, continuum models, and experimental approaches. It will address how these perspectives align or diverge, tackle the challenge of bridging scales from atomic to cellular levels, and discuss how theory and experiment inform and validate each other while highlighting current frontiers and future directions in the field.

Topic 1: Perceptions of Ion Channels

- different perspectives on the perception of ion channels
- ion channels from different points of view: molecular dynamics (MD), continuum models, and experimental approaches
- ion channel function on a fundamental level (opening, closing, and gating)

Goal for Topic 1: Idendification of whether a common perception can be identified.

Topic 2: Bridging Scales (Modeling, Experiments, Simulation/Numerics, Parameters)

- connecting different modeling approaches: from atomistic to cellular level
- understanding transitions between different scales
- bridging scales with numerical simulations
- challenges and needs of multi-scale simulations

Goal for Topic 2: Gain a clearer understanding of the challenges in scale bridging.

Topic 3: Combining Theory and Experiments

- interaction between experiment and theory
- physical quantities deduced from state-of-the-art experiments
- model validation through experimental data
- questions that arise from theory and experiment
- single-molecule current measurements, analysis of ion conductivity, voltage dependency on channel opening and closing processes

Goal for Topic 3: Understand how different experimental techniques can be used to validate specific model assumptions. Examine how theoretical models can provide insights that drive new experimental approaches.

Program

The core of this workshop is formed by the three thematic areas mentioned above. For each of these topics, there will be one session with 15-minute presentations (including questions) followed by a discussion round.

Day 1, 14.10.24:

09:00 – 09:30 Coffee

09:30 – 09:45 Welcome

09:45 – 11:45 Topic 1: Perception of Ion Channels

12:00 – 13:00 Discussion 1

13:00 – 14:30 Lunch / Poster session

14:30 – 16:30 Topic 2: Bridging Scales

16:45 – 17:45 Discussion 2

18:00 Dinner

Day 2, 15.10.24:

09:00 – 09:30 Coffee

09:30 – 11:30 Topic 3: Combining Theory and Experiments

11:45 – 12:45 Discussion 3

12:45 – 14:15 Lunch / Poster session

14:15 – 16:00 Final discussion about concrete next steps

Venue

The workshop will be hosted at WIAS in room 405/406 in the main building.

Mohrenstr. 39, 10117 Berlin (Metro station U2 Hausvogteiplatz).

See maps and directions for further information.

Talks

The talks are planned fo 15 minutes including short questions.

Poster Session

There will be poster sessions during lunch on both days. The posters can be put up from 9 a.m. on October 14.

Posters should be printed in format DIN A0 portrait.

Workshop Dinner

tba

Support