On the basis of a tensor representation of protein shape, obtained by an affine decomposition of residue velocity, we show how to identify actions at continuum scale for both single proteins and their complexes in terms of power equivalence. The approach constructs and justifies a continuum modeling of protein complexes, which avoids a direct, atomistic-based, simula- tion of the whole complex, rather it focuses (in a statistical sense) on a single protein and its interactions with the neighbors. In the resulting setting we also prove the existence of equilibrium configurations (native states) under large strains.

A discrete‐to‐continuum model of protein complexes / Paolo Maria Mariano; Marco Bacci. - In: BIOMECHANICS AND MODELING IN MECHANOBIOLOGY. - ISSN 1617-7959. - STAMPA. - 21:(2022), pp. 871-884. [10.1007/s10237-022-01564-7]

A discrete‐to‐continuum model of protein complexes

Paolo Maria Mariano
;
2022

Abstract

On the basis of a tensor representation of protein shape, obtained by an affine decomposition of residue velocity, we show how to identify actions at continuum scale for both single proteins and their complexes in terms of power equivalence. The approach constructs and justifies a continuum modeling of protein complexes, which avoids a direct, atomistic-based, simula- tion of the whole complex, rather it focuses (in a statistical sense) on a single protein and its interactions with the neighbors. In the resulting setting we also prove the existence of equilibrium configurations (native states) under large strains.
2022
21
871
884
Paolo Maria Mariano; Marco Bacci
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Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/1271651
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