Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022772529> ?p ?o ?g. }
- W2022772529 abstract "Elastic netwok models coarse grain proteins into a network of residue beads connected by springs. We add dissipative dynamics to this mechanical system by applying overdamped Langevin equations of motion to normal-mode vibrations of the network. In addition, the network is made heterogeneous and softened at the protein surface by accounting for hydration of the ionized residues. Solvation changes the network Hessian in two ways. Diagonal solvation terms soften the spring constants and off-diagonal dipole-dipole terms correlate displacements of the ionized residues. The model is used to formulate the response functions of the electrostatic potential and electric field appearing in theories of redox reactions and spectroscopy. We also formulate the dielectric response of the protein and find that solvation of the surface ionized residues leads to a slow relaxation peak in the dielectric loss spectrum, about two orders of magnitude slower than the main peak of protein relaxation. Finally, the solvated network is used to formulate the allosteric response of the protein to ion binding. The global thermodynamics of ion binding is not strongly affected by the network solvation, but it dramatically enhances conformational changes in response to placing a charge at the active site of the protein." @default.
- W2022772529 created "2016-06-24" @default.
- W2022772529 creator A5003059556 @default.
- W2022772529 creator A5012384988 @default.
- W2022772529 date "2012-10-22" @default.
- W2022772529 modified "2023-10-15" @default.
- W2022772529 title "Solvated dissipative electro-elastic network model of hydrated proteins" @default.
- W2022772529 cites W1492262300 @default.
- W2022772529 cites W1532739870 @default.
- W2022772529 cites W1535422202 @default.
- W2022772529 cites W1934365823 @default.
- W2022772529 cites W1966867657 @default.
- W2022772529 cites W1968664853 @default.
- W2022772529 cites W1972110728 @default.
- W2022772529 cites W1977258623 @default.
- W2022772529 cites W1978383132 @default.
- W2022772529 cites W1979399409 @default.
- W2022772529 cites W1983678088 @default.
- W2022772529 cites W1985567612 @default.
- W2022772529 cites W1986342431 @default.
- W2022772529 cites W1987774535 @default.
- W2022772529 cites W1991762941 @default.
- W2022772529 cites W1995994436 @default.
- W2022772529 cites W1997291282 @default.
- W2022772529 cites W1998093640 @default.
- W2022772529 cites W2001270915 @default.
- W2022772529 cites W2001696697 @default.
- W2022772529 cites W2003180932 @default.
- W2022772529 cites W2005392755 @default.
- W2022772529 cites W2017841092 @default.
- W2022772529 cites W2022488335 @default.
- W2022772529 cites W2022634066 @default.
- W2022772529 cites W2023492275 @default.
- W2022772529 cites W2027127921 @default.
- W2022772529 cites W2029667189 @default.
- W2022772529 cites W2031904472 @default.
- W2022772529 cites W2040446474 @default.
- W2022772529 cites W2045701703 @default.
- W2022772529 cites W2047730466 @default.
- W2022772529 cites W2049598343 @default.
- W2022772529 cites W2051341715 @default.
- W2022772529 cites W2051344598 @default.
- W2022772529 cites W2053004995 @default.
- W2022772529 cites W2053719795 @default.
- W2022772529 cites W2055319002 @default.
- W2022772529 cites W2056288284 @default.
- W2022772529 cites W2058101188 @default.
- W2022772529 cites W2067763399 @default.
- W2022772529 cites W2069159000 @default.
- W2022772529 cites W2069351146 @default.
- W2022772529 cites W2069777230 @default.
- W2022772529 cites W2070206101 @default.
- W2022772529 cites W2071062622 @default.
- W2022772529 cites W2071068122 @default.
- W2022772529 cites W2072265998 @default.
- W2022772529 cites W2072343833 @default.
- W2022772529 cites W2076062758 @default.
- W2022772529 cites W2076602648 @default.
- W2022772529 cites W2078646305 @default.
- W2022772529 cites W2078839958 @default.
- W2022772529 cites W2082028745 @default.
- W2022772529 cites W2083887153 @default.
- W2022772529 cites W2083975423 @default.
- W2022772529 cites W2088718376 @default.
- W2022772529 cites W2091060891 @default.
- W2022772529 cites W2091940823 @default.
- W2022772529 cites W2091966043 @default.
- W2022772529 cites W2096573717 @default.
- W2022772529 cites W2097081229 @default.
- W2022772529 cites W2100550439 @default.
- W2022772529 cites W2105348198 @default.
- W2022772529 cites W2113994268 @default.
- W2022772529 cites W2115152262 @default.
- W2022772529 cites W2123050404 @default.
- W2022772529 cites W2129931931 @default.
- W2022772529 cites W2140889378 @default.
- W2022772529 cites W2142595184 @default.
- W2022772529 cites W2142872962 @default.
- W2022772529 cites W2148362226 @default.
- W2022772529 cites W2149744037 @default.
- W2022772529 cites W2161749517 @default.
- W2022772529 cites W2171190723 @default.
- W2022772529 cites W27727037 @default.
- W2022772529 cites W3098864977 @default.
- W2022772529 cites W3101106129 @default.
- W2022772529 doi "https://doi.org/10.1063/1.4759105" @default.
- W2022772529 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23126739" @default.
- W2022772529 hasPublicationYear "2012" @default.
- W2022772529 type Work @default.
- W2022772529 sameAs 2022772529 @default.
- W2022772529 citedByCount "13" @default.
- W2022772529 countsByYear W20227725292013 @default.
- W2022772529 countsByYear W20227725292014 @default.
- W2022772529 countsByYear W20227725292015 @default.
- W2022772529 countsByYear W20227725292017 @default.
- W2022772529 countsByYear W20227725292018 @default.
- W2022772529 countsByYear W20227725292020 @default.
- W2022772529 crossrefType "journal-article" @default.
- W2022772529 hasAuthorship W2022772529A5003059556 @default.
- W2022772529 hasAuthorship W2022772529A5012384988 @default.