| Title: | Spin model of water and post-processing of protein folding experiments |
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| Authors: | ID Badasyan, Artem (Author)
ID Yeritsyan, Knarik (Author) |
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| Files: |
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| Language: | English |
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| Work type: | Unknown |
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| Typology: | 1.12 - Published Scientific Conference Contribution Abstract |
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| Organization: | UNG - University of Nova Gorica
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| Abstract: | The presence of several distinct minima in nearest-neighbor potentials in polymers makes it possible
to describe polymer conformations in terms of discrete isomeric states, naturally leading to spin
language. Using this general approach, a decade ago we have suggested the Hamiltonian formulation
for the Zimm and Bragg model of protein conformations [1,2]. Later we have augmented the model
by an oversimplified spin model for water, resulting in both cold and hot denaturations [3]. We
construct the Statistical Mechanics for the model and get access to its Thermodynamics. Resulting
order parameter and specific heat expressions are successfully fit to available experimental data [4].
Thanks to solid and traceable theoretical foundations, the procedure provides better quality fits as
compared to the state-of-the-art two-state model, routinely used to process protein folding
experiments. |
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| Keywords: | spin model, water, protein folding |
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| Year of publishing: | 2023 |
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| Number of pages: | Str. 11 |
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| PID: | 20.500.12556/RUNG-8393-92e8a8a7-e96f-3f9b-5c2f-c8399b0cbebc |
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| COBISS.SI-ID: | 163133443 |
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| UDC: | 54 |
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| NUK URN: | URN:SI:UNG:REP:HFWGHJJ3 |
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| Publication date in RUNG: | 04.09.2023 |
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| Views: | 1728 |
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| Downloads: | 7 |
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