Analysis of an Existing Method in Refinement of Protein Structure Predictions using Cryo-EM Images

Presenter and Co-Authors

Maytha Alshammari, Old Dominion UniversityFollow
Jing He, Old Dominion UniversityFollow
Willy Wriggers, Old Dominion UniversityFollow
Jiangwen Sun, Old Dominion UniversityFollow

College

College of Sciences

Department

Computer Science

Graduate Level

Doctoral

Publication Date

4-2022

DOI

10.25883/23hv-g011

Abstract

Protein structure prediction produces atomic models from its amino acid sequence. Three-dimensional structures are important for understanding the function mechanism of proteins. Knowing the structure of a given protein is crucial in drug development design of novel enzymes. AlphaFold2 is a protein structure prediction tool with good performance in recent CASP competitions. Phenix is a tool for determination of a protein structure from a high-resolution 3D molecular image. Recent development of Phenix shows that it is capable to refine predicted models from AlphaFold2, specifically the poorly predicted regions, by incorporating information from the 3D image of the protein. The goal of this project is to understand the strengths and weaknesses of the approach that combines Phenix and AlphaFold2 using broader data. This analysis may provide insights for enhancement of the approach.

Keywords

Protein structure prediction, Refinement, Cryo-EM, AlphaFold2, Phenix.

Disciplines

Bioimaging and Biomedical Optics | Other Computer Sciences

Files

Recommended Citation

Alshammari, Maytha; He, Jing; Wriggers, Willy; and Sun, Jiangwen, "Analysis of an Existing Method in Refinement of Protein Structure Predictions using Cryo-EM Images" (2022). College of Sciences Posters. 15.
https://digitalcommons.odu.edu/gradposters2022_sciences/15