Skip to content

Contains scripts used for BioBloom research project, focused on exploring microalgae as a source of ACE-I-inhibitory bioactive peptides.

License

Notifications You must be signed in to change notification settings

martatru/BioBloom

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

60 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

BioBloom Logo

BioBloom 🌿🫀

Microalgae as a Source of Bioactive Compounds in Pharmacology


Overview

BioBloom is a research project exploring microalgae proteomes as a source of bioactive peptides with pharmacological potential (especially ACE inhibitors for cardiovascular health).

This repository provides a collection of scripts for:

  • querying BIOPEP-UWM,
  • peptide filtering & ADMET screening,
  • SMILES/FASTA/PDB conversions,
  • peptide/receptor structure generation for docking.

Repository Structure

  • biopep_uwm/ → BIOPEP-UWM automation
  • admet/ → unify and filter ADMET outputs
  • molecular_docking/ → peptide & receptor structure prep
  • pLM4ACE/ → input/output formatting for pLM4ACE model
  • smiles_conversion/ → utilities for FASTA/SMILES conversion

Documentation

See Wiki for full documentation:

  • detailed script descriptions,
  • requirements,
  • usage examples,
  • full pipeline workflow.

About

Contains scripts used for BioBloom research project, focused on exploring microalgae as a source of ACE-I-inhibitory bioactive peptides.

Topics

Resources

License

Stars

Watchers

Forks

Languages