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Free keywords:
Biomolecular Structure, Biomolecular System, Hydrogen Density, Minor Groove, Structural Hydration
Abstract:
To understand the functioning of living organisms on a molecular level, it is crucial to dissect the intricate interplay of the immense number of biological molecules. However, large biological macromolecules are not the only players in the field. Most of the biochemical processes in cells occur in a liquid environment formed mainly by water and ions. This solvent environment plays an important role in biological systems [1]. It mediates biochemical reactions and has a strong influence on the structural equilibrium of certain molecules. Therefore, the development and application of theoretical descriptions of solute-solvent interactions provides relevant insight into biological processes.
