GPCRPathway

Welcome to the official documentation for GPCRPathway! This is the complete guide to using GPCRPathway, a specialized platform designed for discovering selective ligands targeting G protein-coupled receptors (GPCRs). Centered on the core strategy of integrating Su-GaMD pathway conformations with multi-stage virtual screening, this documentation details the full workflow from dynamic conformational capture of GPCRs to high-throughput ligand screening and validation.

Contents:

• Su-GaMD Tutorial
  • Prerequisites
  • Complete Workflow
• Multi-stage Virtual Screening Tutorial
  • Prerequisites
  • Install Core Dependencies
  • Model Training
  • Parameter Details
  • Molecular Screening
  • Logging