Biomathematical approaches in protein studies

Nevena Ilieva

Abstract


Problems in model studies of biological molecules and complexes result from the size of the systems on the one hand (a large number of elements -- atoms or atomic complexes in the picometer range) and the time scale of the running processes-- from femtoseconds to hours and even days – on the other. Due to the nature of interactions in which biomolecules are involved (short as well as long-range interactions), simply increasing the computing power of modern supercomputers is not enough to solve them. Efforts are concentrated on the development of enhanced phase-space sampling methods or alternative (coarse-grained in one sense or another) representations of the studied systems, but foremost on expanding the boundaries of the existing modeling techniques through synergetic protocols of complementary approaches. The aim is to create multilevel multi-scale approaches to understanding biomolecular structure and dynamics  ...

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