Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Thermodynamics calculation from protein structure

The stability of proteins refers to the maintenance of a defined three-dimensional structure with specific thermodynamic and functional properties. High-resolution structures in the crystalline state and in solution have reached a stage at which the atomic coordinates of proteins can be compared with an accuracy down to root mean square deviation (r.m.s.d.) values less than 1 A. However, even this precision does not allow the fi ee energy of stabilization to be calculated from the coordinates, nor does it allow predictions with respect to the dynamics of functionally relevant local interactions in active or regulatory sites of homologous proteins. The fluctuations between preferred conformations of native proteins involved in such functionally important motions may very well show amplitudes and angles of up to 50 A and 20°, respectively. ... [Pg.442]

It is interesting to note that although apparently unaware of the development of molecular imprinting, Pande et al. [28] proposed the use of thermodynamic control for the preparation of synthetic polymer systems with a memory for a template structure. Monte Carlo computer simulations were performed to validate their hypothesis. From these calculations they identified the formation of non-random polymer sequences arising from an evolution-like preferred selection of various monomer components by similar species. These studies have since been expanded upon using statistical mechanics to examine the consequences for protein folding [29]. [Pg.60]


See other pages where Thermodynamics calculation from protein structure is mentioned: [Pg.317]    [Pg.71]    [Pg.48]    [Pg.168]    [Pg.1626]    [Pg.265]    [Pg.516]    [Pg.33]    [Pg.391]    [Pg.246]    [Pg.6]    [Pg.167]    [Pg.63]    [Pg.405]    [Pg.303]    [Pg.270]    [Pg.144]    [Pg.137]    [Pg.2]    [Pg.196]    [Pg.7]    [Pg.351]    [Pg.54]    [Pg.232]    [Pg.28]    [Pg.148]    [Pg.366]    [Pg.474]    [Pg.73]    [Pg.167]    [Pg.350]    [Pg.174]    [Pg.224]    [Pg.234]    [Pg.337]    [Pg.149]    [Pg.231]    [Pg.148]    [Pg.189]    [Pg.314]    [Pg.183]    [Pg.499]    [Pg.119]    [Pg.465]    [Pg.371]    [Pg.389]    [Pg.144]    [Pg.150]   
See also in sourсe #XX -- [ Pg.335 , Pg.336 , Pg.337 , Pg.338 , Pg.339 ]




SEARCH



Protein structure thermodynamics

Protein structure, calculation

Proteins calculations

Proteins thermodynamics

Structure calculations

Thermodynamic calculation

Thermodynamics calculations

© 2024 chempedia.info