Artificial intelligence-based multi-objective optimization protocol for protein structure refinement.

ABSTRACT:

Motivation

Protein structure refinement is an important step of protein structure prediction. Existing approaches have generally used a single scoring function combined with Monte Carlo method or Molecular Dynamics algorithm. The one-dimension optimization of a single energy function may take the structure too far away without a constraint. The basic motivation of our study is to reduce the bias problem caused by minimizing only a single energy function due to the very diversity of different protein structures.

Results

We report a new Artificial Intelligence-based protein structure Refinement method called AIR. Its fundamental idea is to use multiple energy functions as multi-objectives in an effort to correct the potential inaccuracy from a single function. A multi-objectiv

SUBMITTER: Wang D 

PROVIDER: S-EPMC7999140 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature