Data

Tools

Indexes

Applications

Experiments

Open Source Science

promi

Implementation of a computational biology workflow for estimation of (mutated) protein-ligand affinity

https://github.com/unipisa/promi

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (0.6%) to scientific vocabulary
Last synced: 10 months ago · JSON representation ·

Repository

Implementation of a computational biology workflow for estimation of (mutated) protein-ligand affinity

Basic Info
  • Host: GitHub
  • Owner: Unipisa
  • Language: Python
  • Default Branch: main
  • Size: 42.7 MB
Statistics
  • Stars: 1
  • Watchers: 4
  • Forks: 0
  • Open Issues: 0
  • Releases: 0
Created almost 4 years ago · Last pushed over 1 year ago
Metadata Files
Readme Citation

README.md

mpl-affinity-wf

Implementation of a computational biology workflow for estimation of (mutated) protein-ligand affinity

Owner

  • Name: Università di Pisa
  • Login: Unipisa
  • Kind: organization
  • Location: Pisa

https://unipisa.github.io/

Citation (CITATION.cff) 

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: ProMI
message: >-
  If you use this software, please cite it using the
  metadata from this file.
type: software
authors:
  - given-names: Giang
    family-names: Pham
    email: tranhuong.giangpham@phd.unipi.it
    affiliation: University of Pisa
    orcid: 'https://orcid.org/0009-0001-4113-7332'
  - given-names: Paolo
    family-names: Milazzo
    email: paolo.milazzo@unipi.it
    affiliation: University of Pisa
    orcid: 'https://orcid.org/0000-0002-7309-6424'
repository-code: 'https://github.com/Unipisa/ProMI.git'
url: 'https://unipisa.github.io/ProMI/'
abstract: >-
  A framework to calculate the binding affinity between
  proteins and ligands using Alphafold and Molecular
  Dynamics simulations 
keywords:
  - Binding Affinity
  - Alphafold
  - Molecular Dynamics simulation

GitHub Events

Total
  • Push event: 1
Last Year
  • Push event: 1