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A cyclic force decomposition algorithm is examined for parallelising three body interactions. The algorithm is based on the decomposition of a 3D force matrix into slices of 2D force matrixes in cyclic task assignments. The proposed decomposition algorithm is implemented using MPI and tested in computational experiments of MD simulations. The performance of the decomposition method is studied in terms...
Biomolecular motors are normally single or complex biomolecules exerting mechanical forces across molecular and cellular scales. The ATP-fuelled biomolecular motors can transduce the chemical energy from ATP hydrolysis into forces and motions in cells. In biomolecular motors, transport reactions are both stoichiometric and enzymatic. We set up a mechanochemical theory for biomolecular motors to understand...
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