Repozitorij Univerze v Novi Gorici

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Naslov:Implicit water model within the Zimm-Bragg approach to analyze experimental data for heat and cold denaturation of proteins
Avtorji:Badasyan, Artem (Avtor)
Tonoyan, Sh. A. (Avtor)
Valant, Matjaž (Avtor)
Grdadolnik, Jože (Avtor)
Datoteke:URL https://doi.org/10.1038/s42004-021-00499-x
 
Jezik:Angleški jezik
Vrsta gradiva:Neznano ()
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:UNG - Univerza v Novi Gorici
Opis:Studies of biopolymer conformations essentially rely on theoretical models that are routinely used to process and analyze experimental data. While modern experiments allow study of single molecules in vivo, corresponding theories date back to the early 1950s and require an essential update to include the recent significant progress in the description of water. The Hamiltonian formulation of the Zimm-Bragg model we propose includes a simplified, yet explicit model of water-polypeptide interactions that transforms into the equivalent implicit description after performing the summation of solvent degrees of freedom in the partition function. Here we show that our model fits very well to the circular dichroism experimental data for both heat and cold denaturation and provides the energies of inter- and intra- molecular H-bonds, unavailable with other processing methods. The revealed delicate balance between these energies determines the conditions for the existence of cold dena- turation and thus clarifies its absence in some proteins.
Ključne besede:protein folding, cold denaturation, water, Zimm-Bragg model
Leto izida:2021
Št. strani:str. 1-8
Številčenje:Vol. 4, 2021
COBISS_ID:62204931 Povezava se odpre v novem oknu
UDK:54
ISSN pri članku:2399-3669
URN:URN:SI:UNG:REP:I0FZPAZA
DOI:10.1038/s42004-021-00499-x Povezava se odpre v novem oknu
Število ogledov:1005
Število prenosov:4
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Gradivo je del revije

Naslov:Communications chemistry
Skrajšan naslov:Commun. chem.
Založnik:Macmillan Publishers Ltd, part of Springer Nature
ISSN:2399-3669
COBISS.SI-ID:529716505 Novo okno

Gradivo je financirano iz projekta

Financer:ARRS - Agencija za raziskovalno dejavnost Republike Slovenije (ARRS)
Program financ.:Raziskovalni projekti - temeljni
Številka projekta:J1-1705
Naslov:
Akronim:
ID projekta:info:eu-repo/grantAgreement/ARRS/Raziskovalni%20projekti%20-%20temeljni/J1-1705

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