Effects of the Temperature and Salt Concentration on the Structural Characteristics of the Protein (PDB Code 1BBL).

ABSTRACT: The effect of the temperature and salt solution on the structural characteristics of the protein 1BBL was investigated by molecular dynamics simulations. The paper presents simulation results regarding the non-bonded energy and the structural stability of the protein immersed in salt solutions with different concentrations and temperatures. Our work demonstrates that the electrostatic potential energy and van der Waals energy of the system show the opposite changes with the influence of the external environment. Since the electrostatic potential energy changes more obviously, it is dominated in the non-bonding interactions. The structural parameters, such as the root mean square deviation and the radius of gyration, increased initially and decreased afterward with the increase of the salt

SUBMITTER: Shao D 

PROVIDER: S-EPMC9182825 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature