Unified description of solvent effects in the helix-coil transition

被引:17
作者
Badasyan, Artem [1 ]
Tonoyan, Shushanik A. [2 ]
Giacometti, Achille [3 ]
Podgornik, Rudolf [4 ,5 ,6 ]
Parsegian, V. Adrian [6 ]
Mamasakhlisov, Yevgeni Sh. [2 ]
Morozov, Vladimir F. [2 ]
机构
[1] Univ Nova Gorica, Mat Res Lab, SI-5000 Nova Gorica, Slovenia
[2] Yerevan State Univ, Dept Mol Phys, Yerevan 375025, Armenia
[3] Univ Ca Foscari Venezia, Dipartimento Sci Mol & Nanosistemi, I-30123 Venice, Italy
[4] Univ Ljubljana, Fac Math & Phys, J Stefan Inst, Dept Theoret Phys, SI-1000 Ljubljana, Slovenia
[5] Univ Ljubljana, Fac Math & Phys, Dept Phys, SI-1000 Ljubljana, Slovenia
[6] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA
来源
PHYSICAL REVIEW E | 2014年 / 89卷 / 02期
关键词
MICROSCOPIC APPROACH; PHASE-DIAGRAMS; POTTS-MODEL; WATER; DENATURATION; POLYPEPTIDES; HYDRATION; MIXTURES; PROTEINS; BINDING;
D O I
10.1103/PhysRevE.89.022723
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We analyze the problem of the helix-coil transition in explicit solvents analytically by using spin-based models incorporating two different mechanisms of solvent action: explicit solvent action through the formation of solvent-polymer hydrogen bonds that can compete with the intrinsic intra-polymer hydrogen bonded configurations (competing interactions) and implicit solvent action, where the solvent-polymer interactions tune biopolymer configurations by changing the activity of the solvent (non-competing interactions). The overall spin Hamiltonian is comprised of three terms: the background in vacuo Hamiltonian of the "Generalized Model of Polypeptide Chain" type and two additive terms that account for the two above mechanisms of solvent action. We show that on this level the solvent degrees of freedom can be explicitly and exactly traced over, the ensuing effective partition function combining all the solvent effects in a unified framework. In this way we are able to address helix-coil transitions for polypeptides, proteins, and DNA, with different buffers and different external constraints. Our spin-based effective Hamiltonian is applicable for treatment of such diverse phenomena as cold denaturation, effects of osmotic pressure on the cold and warm denaturation, complicated temperature dependence of the hydrophobic effect as well as providing a conceptual base for understanding the behavior of intrinsically disordered proteins and their analogues.
引用
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页数:10
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