FP-Zernike: An Open-source Structural Database Construction Toolkit for Fast Structure Retrieval.

ABSTRACT: The release of AlphaFold2 has sparked a rapid expansion in protein model databases. Efficient protein structure retrieval is crucial for the analysis of structure models, while measuring the similarity between structures is the key challenge in structural retrieval. Although existing structure alignment algorithms can address this challenge, they are often time-consuming. Currently, the state-of-the-art approach involves converting protein structures into three-dimensional (3D) Zernike descriptors and assessing similarity using Euclidean distance. However, the methods for computing 3D Zernike descriptors mainly rely on structural surfaces and are predominantly web-based, thus limiting their application in studying custom datasets. To overcome this limitation, we developed FP-Zernike, a use

SUBMITTER: Qi J 

PROVIDER: S-EPMC11423855 | biostudies-literature | 2024 May

REPOSITORIES: biostudies-literature