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OUR RESEARCH AREAS

Computational biochemistry and biophysics

• Atomistic and coarse grained classical molecular dynamics simulations
• Quantum chemistry (all-QM and QM/MM approaches to enzyme mechanism)
• Continuum electrostatics, homology modeling, sequence alignments and evolutionary analysis

Modeling and simulation of mitochondrial respiratory complexes and replication machinery

• Modeling and simulation of electron transfer complexes I, III and IV, and ATP-synthase
• Modeling and simulation of mtDNA polymerase

Mechanistic insights into mitochondrial function or dysfunction

• State-of-the-art modeling and simulation strategies to understand how ROS generation and regulation occurs in mitochondria.

OUR FUNDING

Academy of Finland, Sigrid Jusélius Foundation, University of Helsinki, Magnus Ehrnrooth Foundation

COMPUTATIONAL SUPPORT

Center for Scientific Computing, Finland

PRACE