Literature DB >> 23781820

Theoretical aspects of self-assembly of proteins: a Kirkwood-Buff-theory approach.

Arieh Ben-Naim1.   

Abstract

A new approach to the problem of self-assembly of proteins induced by temperature, pressure, or changes in solute concentration is presented. The problem is formulated in terms of Le Chatelier principle, and a solution is sought in terms of the Kirkwood-Buff theory of solutions. In this article we focus on the pressure and solute effects on the association-dissociation equilibrium. We examine the role of both hydrophobic and hydrophilic effects. We argue that the latter are more important than the former. The solute effect, on the other hand, depends on the preferential solvation of the monomer and the aggregate with respect to solvent and co-solvent molecules. An experimental approach based on model compounds to study these effects is suggested.

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Year:  2013        PMID: 23781820     DOI: 10.1063/1.4810806

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Predicting unfolding thermodynamics and stable intermediates for alanine-rich helical peptides with the aid of coarse-grained molecular simulation.

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Journal:  Biophys Chem       Date:  2016-07-22       Impact factor: 2.352

2.  Kirkwood-Buff integrals for hard-core Yukawa fluids.

Authors:  Han-Fei Chen; Jiang-Tao Li; Fang Gu; Hai-Jun Wang
Journal:  Eur Phys J E Soft Matter       Date:  2017-11-03       Impact factor: 1.890

Review 3.  Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method.

Authors:  Maziar Heidari; Kurt Kremer; Raffaello Potestio; Robinson Cortes-Huerto
Journal:  Entropy (Basel)       Date:  2018-03-24       Impact factor: 2.524

Review 4.  Computational models for studying physical instabilities in high concentration biotherapeutic formulations.

Authors:  Marco A Blanco
Journal:  MAbs       Date:  2022 Jan-Dec       Impact factor: 5.857

  4 in total

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