Probing the local conformational flexibility in receptor recognition: mechanistic insight from an atomic-scale investigation.

ABSTRACT: Inherent protein conformational flexibility is important for biomolecular recognition, but this critical property is often neglected in several studies. This event can lead to large deviations in the research results. In the current contribution, we disclose the effects of the local conformational flexibility on receptor recognition by using an atomic-scale computational method. The results indicated that both static and dynamic reaction modes have noticeable differences, and these originated from the structural features of the protein molecules. Dynamic interaction results displayed that the structural stability and conformational flexibility of the proteins had a significant influence on the recognition processes. This point related closely to the characteristics of the flexible loop reg

SUBMITTER: Ding F 

PROVIDER: S-EPMC9064033 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature