Identification of native protein structures captured by principal interactions.

ABSTRACT: BACKGROUND:Evaluation of protein structure is based on trustworthy potential function. The total potential of a protein structure is approximated as the summation of all pair-wise interaction potentials. Knowledge-based potentials (KBP) are one type of potential functions derived by known experimentally determined protein structures. Although several KBP functions with different methods have been introduced, the key interactions that capture the total potential have not studied yet. RESULTS:In this study, we seek the interaction types that preserve as much of the total potential as possible. We employ a procedure based on the principal component analysis (PCA) to extract the significant and key interactions in native protein structures. We call these interactions as principal interactions

SUBMITTER: Mirzaie M 

PROVIDER: S-EPMC6873546 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature