Protein Target Enablement Research Service Guide

This document is a service guide detailing the Protein Target Enablement Research Service offered by Schrödinger. The guide outlines the advancements in structural biology, particularly the use of cryo-EM, homology modeling, and machine learning technologies like AlphaFold, which have led to an increase in available protein structures. It emphasizes the necessity for protein structure refinement and accurate ligand placement to facilitate physics-based simulations, including free energy calculations with FEP+. The service aims to assist companies in preparing their protein-ligand systems for structure-based design, particularly when structural data is incomplete or suboptimal. The guide presents case studies demonstrating the service's effectiveness in resolving structural challenges and enabling predictive modeling for drug discovery. It also describes the workflow involved in target enablement, the required inputs, and the deliverables provided to clients, ensuring they are equipped for future projects.