Roterman Irena, Stapor Katarzyna, Gądek Krzysztof, Gubała Tomasz, Nowakowski Piotr, Fabian Piotr, Konieczny Leszek
Department of Bioinformatics and Telemedicine, Medical College, Jagiellonian University, Medyczna 7, 30-688 Krakow, Poland.
Department of Applied Informatics, Silesian University of Technology, Akademicka 16, 44-100 Gliwice, Poland.
Membranes (Basel). 2021 Dec 30;12(1):50. doi: 10.3390/membranes12010050.
The natural environment of proteins is the polar aquatic environment and the hydrophobic (amphipathic) environment of the membrane. The fuzzy oil drop model (FOD) used to characterize water-soluble proteins, as well as its modified version FOD-M, enables a mathematical description of the presence and influence of diverse environments on protein structure. The present work characterized the structures of membrane proteins, including those that act as channels, and a water-soluble protein for contrast. The purpose of the analysis was to verify the possibility that an external force field can be used in the simulation of the protein-folding process, taking into account the diverse nature of the environment that guarantees a structure showing biological activity.
蛋白质的天然环境是极性的水性环境以及膜的疏水(兼性)环境。用于表征水溶性蛋白质的模糊油滴模型(FOD)及其改进版本FOD-M,能够对不同环境对蛋白质结构的存在和影响进行数学描述。本研究对膜蛋白的结构进行了表征,包括那些充当通道的膜蛋白,以及作为对照的一种水溶性蛋白。分析的目的是验证在考虑到保证具有生物活性结构的环境的多样性的情况下,外力场可用于模拟蛋白质折叠过程的可能性。