Quantifying steric hindrance and topological obstruction to protein structure superposition.

ABSTRACT:

Background

In computational structural biology, structure comparison is fundamental for our understanding of proteins. Structure comparison is, e.g., algorithmically the starting point for computational studies of structural evolution and it guides our efforts to predict protein structures from their amino acid sequences. Most methods for structural alignment of protein structures optimize the distances between aligned and superimposed residue pairs, i.e., the distances traveled by the aligned and superimposed residues during linear interpolation. Considering such a linear interpolation, these methods do not differentiate if there is room for the interpolation, if it causes steric clashes, or more severely, if it changes the topology of the compared protein backbone curves.

Resu

SUBMITTER: Rogen P 

PROVIDER: S-EPMC7913338 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature