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.
Lucie Delemotte, Jens Carlsson, Alessandra Villa
Coffee and Registration
Metallo-biology of diseases as revealed from multiscale-simulations
Alessandra Magistrato, International School for Advanced studies (SISSA), Trieste, Italy
Bifunctional Substrate Activation via an Arginine Residue Derives Catalysis on Chalcone Isomerases
Marina Corbella Morato, Uppsala University
Modeling interactions between lipid molecules and TiO2 nanosurfaces
Mikhail Ivanov, Stockholm University
Molecular mechanisms of cell respiration
Ville Kaila, Stockholm University, Sweden
GTPases strategy to tackle the complex GTP hydrolysis reaction
Cátia Moreira, Uppsala University
Biomolecular Simulations of HERG PAS Domain to interpret Mutations Linked to Long QT Syndrome Type 2 (LQT2)
Paulette Greenidge, Sprint Bioscience
Chair: Syma Khalid, Parul Tewatia
Computational studies of the bacterial cell envelope at multiple scales: successes and some limitations.
Syma Khalid, University of Southampton, UK
Insights from molecular dynamics simulations for developing cell-level continuum models of membrane electroporation
Lea Rems, KTH Royal Institute of Technology
Axolemma vulnerability in axonal injury – a finite element/molecular dynamics study
Annaclaudia Montanino, KTH Royal Institute of Technology
Insights into molecular mechanisms underlying striatal synaptic plasticity
Parul Tewatia, KTH, Stockholm, Sweden
Chair: Alessandra Magistrato, Ville Kaila
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