Sharma Research

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Computational biochemistry and biophysics

  • Atomistic or coarse grained classical molecular dynamics simulations
  • Quantum chemistry (all-QM or QMMM 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.