This repository is the collection point of reference data for the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation Data

repository for "GPCRact: a hierarchical framework for predicting ligand-induced GPCR activity via allosteric communication modeling"

A predictor of GPCR couplings with G-proteins/B-arrs using Transformers

GPCRs modeling and docking with python

Code for an artificial neural net classifier of small molecule GPCR activity

An ML-based predictor of GPCR/G-protein couplings using only sequence information

Simulation of pharmacodynamic models of drug-GPCR (class A) interactions.

A production-ready, human-in-the-loop curation suite for GPCR structure annotations. It provides GPCR structure experts with an interactive CLI dashboard to review, validate, and export AI-generated metadata into structured CSVs. Features automated quality checks, algorithmic conflict resolution, and full audit trails. Fully Dockerized.

🔗💊 Visualisation of Contact Network of GPCR in 2D schematic model

Lit review of opioid receptor using molecular dynamics

Deep Belief Network for Compound-Protein Interaction Prediction.

A project exploring G-protein-coupled receptors (GPCRs) as therapeutic targets for Long COVID using computational analysis and drug repurposing tools.

Automated protein-protein docking pipeline for ClusPro. Batch submission, queue monitoring, results parsing, and GPCR topology-aware pose validation. Enables high-throughput virtual screening of peptide-receptor interactions for drug discovery workflows.

💾 Code & data to reproduce the results presented in "Perfect adaptation in eukaryotic gradient sensing using cooperative allosteric binding". https://doi.org/10.1103/z9xd-xbw5

http://www.umop.net/spectra/index.htm PrimaryOdors.org molecular docker. http://primaryodors.org/index.php