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Naslov:Potts spins, protein conformations and implicit water model
Avtorji:ID Badasyan, Artem (Avtor)
Datoteke:URL https://bionano8.nanofun.edu.pl/#speakers
 
Jezik:Angleški jezik
Vrsta gradiva:Neznano
Tipologija:1.10 - Objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje)
Organizacija:UNG - Univerza v Novi Gorici
Opis:I will summarize past and current achievements in the field of spin model applications to protein conformations. Using classical Statistical Mechanics scheme and 1D many-body Hamiltonian, exact partition function can be estimated, giving access to the free energy, order parameter and specific heat. I will introduce a simplified water model as an additive term at the level of Hamiltonian, and will show how the solvent degrees of freedom can be summed out. The suggested procedure results in the effective Hamiltonian with the temperature dependent hydrogen bonding energy. If the many-body range is reduced to the nearest neighbour, the approach reduces to the Zimm-Bragg model. Obtained expressions for the order parameter and the specific heat nicely fit to the corresponding experiments for protein folding, providing an alternative or complementary scheme for the processing of experimental data.
Ključne besede:protein folding, Zimm-Bragg, protein-water interactions
Leto izida:2023
Št. strani:Str. 61
PID:20.500.12556/RUNG-8263-ac839435-1d5a-b409-3f27-b7e4788f9ada Novo okno
COBISS.SI-ID:156113923 Novo okno
UDK:53
NUK URN:URN:SI:UNG:REP:IMEO3WRY
Datum objave v RUNG:19.06.2023
Število ogledov:3086
Število prenosov:9
Metapodatki:XML DC-XML DC-RDF
:
BADASYAN, Artem, 2023, Potts spins, protein conformations and implicit water model. V : Biomolecules and Nanostructures 8 [na spletu]. Objavljeni povzetek znanstvenega prispevka na konferenci (vabljeno predavanje). Mulhouse. 2023. [Dostopano 18 april 2025]. Pridobljeno s: https://bionano8.nanofun.edu.pl/#speakers
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Naslov:Biomolecules and Nanostructures 8 : 14-22 June 2023, Hotel Forest, Przegorzały (near Kraków), Poland
Uredniki:Mateusz Chwastyk
Kraj izida:Mulhouse
Založnik:European Physical Society
COBISS.SI-ID:156103683 Novo okno
Naslov zbirke:Europhysics conference abstracts
Številčenje v zbirki:ǂvol. ǂ47A

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