Ringtail: A Python Tool for Efficient Management and Storage of Virtual Screening Results
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00166
Abstract: Virtual screening using molecular docking is now routinely used for the rapid evaluation of very large ligand libraries in early stage drug discovery. As the size of compound libraries which can feasibly be screened grows,… read more here.
Keywords: management storage; virtual screening; storage; python tool ... See more keywords
Tyto: A Python Tool Enabling Better Annotation Practices for Synthetic Biology Data-Sharing.
Sign Up to like & getrecommendations! Published in 2022 at "ACS synthetic biology"
DOI: 10.1021/acssynbio.1c00450
Abstract: As synthetic biology becomes increasingly automated and data-driven, tools that help researchers implement FAIR (findable-accessible-interoperable-reusable) data management practices are needed. Crucially, in order to support machine processing and reusability of data, it is important that… read more here.
Keywords: synthetic biology; tyto; annotation practices; biology ... See more keywords
PETAL: a Python tool for deep analysis of biological pathways
Sign Up to like & getrecommendations! Published in 2021 at "Bioinformatics"
DOI: 10.1093/bioinformatics/btaa1032
Abstract: SUMMARY Although several bioinformatics tools have been developed to examine signaling pathways, little attention has been given to ever long-distance crosstalk mechanisms. Here, we developed PETAL, a Python tool that automatically explores and detects the… read more here.
Keywords: python tool; deep analysis; analysis biological; petal python ... See more keywords