Non-Markovian protein dynamics and its implication for thermodynamic description of their functioning. - Project - MOST Wiedzy

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Non-Markovian protein dynamics and its implication for thermodynamic description of their functioning.

The assumption of non-Markov dynamics of macromolecules on a mesoscopic scale has certain consequences for the description of this system on a macroscopic scale. The theory that allows the transition from coarse-grained to macroscopic (thermodynamic) is developed in the Physicochemical Processes Modeling Team of Prof. dr hab. A. Gadomski from the University of Technology and Life Sciences (UTP) in Bydgoszcz. It is called mesoscopic non-equilibrium thermodynamics (MNET). The advantage of this approach is the ability to describe the system in states far from equilibrium at various levels of detail of its description. I have been cooperating with this team for several years, and the results of our work are presented in publications. In 2018, our publication appeared, which extended the theory of MTN to the case of non-equilibrium processes, described by one coordinate, which take place in a subdiffusion environment. We obtained a formula for entropy production in the form of an integral expression in which there appears a part related to thermodynamic force and a modified, Riemann-Liouville operator in time, flow. It is worth adding that I also have other publications with this Team. The considerations in the work on extended MTN were phenomenological, therefore the next step is to examine how the modified MNET is implemented in different situations in the dynamics of specific macromolecules. For this purpose I will use computer simulations. People from the Team in UTP specialize in the physics of biological macromolecules and have extensive experience in carrying out their computer simulations. During my practice in this Team I plan enriching my scientific experience and I intend to research selected macromolecules for the use of MNET. I'm planning a work at UTP for a 42 days. It will be done during the semester break in the 2019/2020 academic year and in period July-September 2020.

Details

Project's funding:
MINIATURA
Realisation period:
2019-12-19 - 2020-12-18
Project manager:
dr Piotr Weber
Realised in:
Faculty of Applied Physics and Mathematics
Request type:
National Research Programmes
Domestic:
Domestic project
Verified by:
Gdańsk University of Technology

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