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Computational 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.
Academy of Finland, Sigrid Jusélius Foundation, Jane and Aatos Erkko Foundation, University of Helsinki, Magnus Ehrnrooth Foundation
Center for Scientific Computing, Finland
PRACE