ZoomQA: residue-level protein model accuracy estimation with machine learning on sequential and 3D structural features.

ABSTRACT:

Motivation

The Estimation of Model Accuracy problem is a cornerstone problem in the field of Bioinformatics. As of CASP14, there are 79 global QA methods, and a minority of 39 residue-level QA methods with very few of them working on protein complexes. Here, we introduce ZoomQA, a novel, single-model method for assessing the accuracy of a tertiary protein structure/complex prediction at residue level, which have many applications such as drug discovery. ZoomQA differs from others by considering the change in chemical and physical features of a fragment structure (a portion of a protein within a radius $r$ of the target amino acid) as the radius of contact increases. Fourteen physical and chemical properties of amino acids are used to build a comprehensive representation of every re

SUBMITTER: Hippe K 

PROVIDER: S-EPMC8499977 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature