Skip to content

Commit 9ffee43

Browse files
authored
Merge pull request #1 from ProteinQure/markf94-patch-1
Revise README with new badges and content updates
2 parents 9eebdb8 + bc0806e commit 9ffee43

1 file changed

Lines changed: 8 additions & 3 deletions

File tree

README.md

Lines changed: 8 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -2,11 +2,16 @@
22
[![Release](https://img.shields.io/github/v/release/ProteinQure/monomer-database-datasets?label=release&color=f5995b)](https://github.com/ProteinQure/monomer-database-datasets/releases/latest)
33
[![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.21684533-1682D4)](https://doi.org/10.5281/zenodo.21684533)
44
![Monomers](https://img.shields.io/badge/monomers-2488-2e6e8e)
5-
[![License: CC BY-SA 4.0](https://img.shields.io/badge/License-CC%20BY--SA%204.0-lightgrey.svg)](https://creativecommons.org/licenses/by-sa/4.0/deed.en)
5+
[![Data: CC BY-SA 4.0](https://img.shields.io/badge/data-CC%20BY--SA%204.0-lightgrey.svg)](LICENSE)
6+
[![Code: AGPL v3](https://img.shields.io/badge/code-AGPL%20v3-lightgrey.svg)](LICENSE-CODE)
67

7-
The monomer database is a curated, openly-licensed database of 2,488 peptide monomers; canonical and non-canonical amino-acid backbones (α/β/γ/δ/ε), N-/C-terminal caps, and side-chain modifications with physicochemical properties (MW, cLogP, tPSA), usage/availability signals, and structure identifiers (SMILES, InChIKey), for peptide and macrocycle design.
8+
The Monomer Database is a curated, openly licensed resource for peptide and macrocycle design. 2,488 chemically standardized canonical and non-canonical monomers spanning α/β/γ/δ/ε backbones plus N- and C-terminal caps, with SMILES, InChIKeys, systematic IUPAC names, natural-analogue mapping, computed physicochemical properties (MW, cLogP, tPSA), and commercial-availability signals. Each entry carries a ProteinQure-derived HELM-style monomer shorthand.
89

9-
This repository contains versioned output formats for the monomer database. The files are generated from the authoritative [`monomer-database-source`](https://github.com/ProteinQure/monomer-database-source) repository and are available for download and archival through [Zenodo]((https://doi.org/10.5281/zenodo.21684533)). [ProteinQure](https://proteinqure.com) is identified as the organizational creator; see [ZENODO.md](ZENODO.md).
10+
**This repository contains versioned output formats for the monomer database. The files are generated from the authoritative [`monomer-database-source`](https://github.com/ProteinQure/monomer-database-source) repository and are available for download and archival through [Zenodo]((https://doi.org/10.5281/zenodo.21684533)).** [ProteinQure](https://proteinqure.com) is identified as the organizational creator; see [ZENODO.md](ZENODO.md).
11+
12+
## Interactive Monomer Explorer UI
13+
14+
The Monomer Database can be interactively browsed, explored and searched via the free [Monomer Explorer](https://monomers.proteinqure.com/) hosted by [ProteinQure](https://proteinqure.com). Search the database by name, SMILES, or even a partially remembered name, and retrieve the nearest neighbours of any monomer ranked by Tanimoto similarity. The Chemical Exploration view maps the space around a selected monomer across four regions; close analogues, potential activity cliffs, putative scaffold hops, and the far edge of the space.
1015

1116
## Download and verify
1217

0 commit comments

Comments
 (0)