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
GPCRs modeling and docking with python
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.
Deep Belief Network for Compound-Protein Interaction Prediction.
Heuristic similarity-based approach for predicting ligands of orphan GPCRs using metadata matching
Traceable preliminary models for GPCR direct affinity and operational bias-signalling.
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