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Mini-symposium: From coarse-grained to atomistic description of biophysical processes


Welcome to this mini-symposium in Solna on the theme: “From coarse-grained to atomistic description of biophysical processes”.

The aim of the workshop is to promote scientific exchange and synergies across the fields of biomolecular simulations by gathering leading established and upcoming scientists to discuss and exchange the most recent advances in the area. The workshop consists of talks by external and local  participants and discussions on the year’s topics. The discussions will enable a lively exchange and generate room for creative new ideas.

Please submit your own suggestion for presentation. Chances are you will be selected to give a talk during the day.

Organizers

Lucie Delemotte, Jens Carlsson, Alessandra Villa

Program

08:50
Coffee and Registration
09:20
Opening words

Organizers

09:25
Metallo-biology of diseases as revealed from multiscale-simulations

Alessandra Magistrato, International School for Advanced studies (SISSA), Trieste, Italy

10:05
Bifunctional Substrate Activation via an Arginine Residue Derives Catalysis on Chalcone Isomerases

Marina Corbella Morato, Uppsala University

10:20
Modeling interactions between lipid molecules and TiO2 nanosurfaces

Mikhail Ivanov, Stockholm University

10:35 Coffee Break

10:50
Molecular mechanisms of cell respiration

Ville Kaila, Stockholm University, Sweden

11:30
GTPases strategy to tackle the complex GTP hydrolysis reaction

Cátia Moreira, Uppsala University

11:45
Biomolecular Simulations of HERG PAS Domain to interpret Mutations Linked to Long QT Syndrome Type 2 (LQT2)

Paulette Greenidge, Sprint Bioscience

12:00
Discussion

Chair: Syma Khalid, Parul Tewatia

12:30
Lunch
13:30
Computational studies of the bacterial cell envelope at multiple scales: successes and some limitations.

Syma Khalid, University of Southampton, UK

14:10
Insights from molecular dynamics simulations for developing cell-level continuum models of membrane electroporation

Lea Rems, KTH Royal Institute of Technology

14:10
Axolemma vulnerability in axonal injury – a finite element/molecular dynamics study

Annaclaudia Montanino, KTH Royal Institute of Technology

14:40
Coffee break
14:55
Insights into molecular mechanisms underlying striatal synaptic plasticity

Parul Tewatia, KTH, Stockholm, Sweden

15:20
Discussion

Chair: Alessandra Magistrato, Ville Kaila

15:50
Closing Words

Organizers


Registration

Mini-symposium: Computational Biology HT2019
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