Schrödinger FEP+ software
FEP+ is Schrödinger’s high-performance free energy perturbation (FEP) platform, designed to transform drug discovery with predictive accuracy that rivals experimental methods. By computationally estimating protein-ligand binding affinities with ~1 kcal/mol accuracy, FEP+ enables researchers to confidently explore vast chemical space, optimize molecular properties, and reduce experimental costs. Widely adopted across the pharmaceutical and biotech industry, FEP+ accelerates hit discovery, lead optimization, and in silico protein engineering, driving faster development of high-quality drug candidates.
Features
- Gold-Standard Accuracy – Binding affinity predictions within ~1 kcal/mol of experimental results.
- Broad Chemical Space Coverage – Supports diverse ligands, protein classes, and perturbation types.
- Cost-Effective Screening – Reduce experimental workloads with accurate in silico assays.
- Multi-Property Optimization – Improve potency, selectivity, and solubility simultaneously.
- Proven in Pharma & Biotech – Widely adopted with multiple clinical-stage drug candidates.
- Versatile Applications – Applied across discovery, optimization, and protein engineering.
- Continuous Innovation – Actively enhanced with ongoing Schrödinger R&D.
Applications
- Structure Prediction & Target Enablement – Accelerate early-stage discovery with accurate models.
- Hit Discovery – Prioritize promising molecules in silico before experimental screening.
- Hit-to-Lead & Lead Optimization – Rapidly refine candidates with predictive potency data.
- In Silico Protein Engineering – Explore protein variants and optimize molecular interactions.
- Pharmaceutical R&D – Support preclinical decision-making with high-confidence predictions.
- Biotech Innovation – Enable smaller teams to compete with cutting-edge computational accuracy.
