Program

All times are given in CET. PDT times are given via the link on the time. The link also allows to convert to your local time (https://https://savvytime.com/converter) Please be aware that daylight saving starts at different dates in different countries.

Please note, talks in session 3 and 4 are swapped compared to a previous version of the schedule.

The given schedule is the final version of the program.

Wednesday 24.03

5:00 pm

Welcome (Prof. Rebecca Wade, Heidelberg Institute for Theoretical Studies, Germany)

Session 1 - Crowding: Diffusion in cells and membranes

Chaired by Prof. Rommie Amaro

5:10 pm

Keynote Speaker:
Prof. Syma Khalid (University of Southampton, United Kingdom)
Molecular choreography within the periplasm of E. coli

Contributed lectures

5:50 pm

CT1: Dr. Debabrata Dey (Weizmann Institute of Science, Israel)
Line-FRAP, a versatile method to measure diffusion rates in vitro and in vivo

6:05 pm

CT2: Dr. Ariane Nunes Alves (Heidelberg Institute for Theoretical Studies, Germany)
Fluorescence recovery curves from Brownian dynamics simulations

6:20 pm

CT3: Dr. Francesco Reina (Leibniz IPHT, Germany)
Comparison between simulation and experimental data to estimate diffusion parameters on living cell membranes

6:35 pm

CT4: Agnes Koerfer (Friedrich-Schiller Univeristät Jena, Germany)
Simulation of Molecular Membrane Diffusion Models for an Understanding of Different Experimental Dynamic Microscopy Data

6:50 pm

15 min break

Session 2 - Advances in Brownian dynamics and motion

Chaired by Dr. Lane Votapka

Contributed lectures

7:05 pm

CT5: Dr. Goutam Mukherjee (Heidelberg Institute for Theoretical Studies, Germany)
How are Electrons Transferred from Cytochrome P450 Reductase to Cytochrome P450 Enzymes? Towards a Structural and Dynamic Understanding

7:20 pm

CT6: Martin Reinhardt (Heidelberg Institute for Theoretical Studies, Germany)
Brownian Dynamics Simulations of Proteins in the Presence of Surfaces

7:35 pm

CT7: Dr. Angélica Sandoval-Pérez (University of California San Francisco, United States)
Double stranded DNA binds to a specific site of the adhesive blood-protein von Willebrand factor guided by electrostatic interactions

7:50 pm

CT8: Dr. Olivier Walker (University of Lyon, France)
Combining NMR and molecular dynamics to explore protein motions

8:05 pm

Keynote Speaker:
Prof. Aleksei Aksimentiev (University of Illinois, USA)
Multi-resolution simulations of biomolecular systems with ARBD

8:45 pm

Discussion

9:00 pm

End of day 1

Thursday 25.03

5:00 pm

Welcome (NN)

Session 3 - Binding and aggregation of proteins and lipids

Chaired by Dr. Ariane Nunes Alves

5:05 pm

Keynote Speaker:
Prof Gerhard Hummer (Max Planck Institute for Biophysics, Frankfurt, Germany)
Diffusion in membranes and dense protein solutions

Contributed lectures

5:45 pm

CT13: Vijay Phanindra Srikanth Kompella (Curtin University, Australia)
Characterization of slow and sub-diffusive behaviour in crowded protein solutions and discerning the underlying causal relations

6:00 pm

CT14: Dr. Ioana M. Ilie (University of Zurich, Switzerland)
Simulating Biological Complexity beyond the spherical cow

6:15 pm

CT15: Matheus Ferraz (Federal University of Pernambuco/Aggeu Magalhaes Institute, Brazil)
Insights into the binding mechanism reveal the molecular selectivity of VHH-72 against SARS-CoV-1 but not for SARS-CoV-2 RBD

6:30 pm

CT16: Dr. Xavier Prasanna Anthony Raj (University of Helsinki, Finland)
Role of seipin in early stages of lipid droplet biogenesis

6:45 pm

15 min break

Session 4 - Kinetics of protein-ligand binding

Chaired by Prof. Rebecca Wade

Contributed lectures

7:00 pm

CT9: Dr. Lane Votapka (University of California San Diego, United States)
Expanding the Capabilities and Usability of SEEKR to Estimate the Kinetics of Molecular Processes

7:15 pm

CT10: Dr. Steffen Wolf (University of Freiburg, Germany)
Coarse-graining Hamiltonian dynamics into free energies and friction profiles for the acceleration of the prediction of dynamics MD simulations

7:30 pm

CT11: Abraham Muñiz Chicharro (Heidelberg Institute for Theoretical Studies, Germany)
A multiscale approach to compute conformation-gated ligand-receptor binding kinetics

7:45 pm

CT12: Dr. Mauricio del Razo Sarmina (University of Amsterdam, Netherlands)
Molecular kinetics as hybrid switching diffusions: a general framework for MSM/RD simulation

8:00 pm

Keynote Speaker:
Prof. Roseanna Zia (Stanford University, USA)
Physical transport modulates protein synthesis rates and can explain increasing ribosome productivity as growth quickens

8:40 pm

Final discussion

9:00 pm

End of conference

Want to contact us?

bdbdb@h-its.org