bio2Byte Tools 作为 Python 包和 Galaxy 工具的部署，用于预测蛋白质生物物理特性。

bio2Byte Tools deployment as a Python package and Galaxy tool to predict protein biophysical properties.

机构信息

Interuniversity Institute of Bioinformatics in Brussels, ULB-VUB, La Plaine Campus, Triomflaan, C building, 6th floor, CP 263, 1050, Brussels, Belgium.

Structural Biology Brussels, Vrije Universiteit Brussel, Pleinlaan 2, 1050, Brussels, Belgium.

出版信息

Bioinformatics. 2024 Sep 2;40(9). doi: 10.1093/bioinformatics/btae543.

DOI:10.1093/bioinformatics/btae543

PMID:39240327

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11873786/

Abstract

SUMMARY

We introduce a unified Python package for the prediction of protein biophysical properties, streamlining previous tools developed by the Bio2Byte research group. This suite facilitates comprehensive assessments of protein characteristics, incorporating predictors for backbone and sidechain dynamics, local secondary structure propensities, early folding, long disorder, beta-sheet aggregation, and fused in sarcoma (FUS)-like phase separation. Our package significantly eases the integration and execution of these tools, enhancing accessibility for both computational and experimental researchers.

AVAILABILITY AND IMPLEMENTATION

The suite is available on the Python Package Index (PyPI): https://pypi.org/project/b2bTools/ and Bioconda: https://bioconda.github.io/recipes/b2btools/README.html for Linux and macOS systems, with Docker images hosted on Biocontainers: https://quay.io/repository/biocontainers/b2btools?tab=tags&tag=latest and Docker Hub: https://hub.docker.com/u/bio2byte. Online deployments are available on Galaxy Europe: https://usegalaxy.eu/root?tool_id=b2btools_single_sequence and our online server: https://bio2byte.be/b2btools/. The source code can be found at https://bitbucket.org/bio2byte/b2btools_releases.

摘要

我们引入了一个用于预测蛋白质生物物理性质的统一 Python 包，简化了 Bio2Byte 研究小组开发的先前工具。该套件促进了蛋白质特性的全面评估，包括对骨架和侧链动力学、局部二级结构倾向、早期折叠、长无序、β-折叠聚集和融合肉瘤（FUS）样相分离的预测因子。我们的套件大大简化了这些工具的集成和执行，提高了计算和实验研究人员的可访问性。