FEP+
No reviews yetFree energy perturbation software that predicts protein-ligand binding affinity and other properties with physics-based calculations to prioritize compounds before synthesis.
AI Drug Discovery
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Features
Predict relative binding affinity of compounds
Calculate absolute binding free energies
Predict selectivity across protein targets
Estimate solubility from free energy calculations
Prioritize compounds before synthesis
Run calculations on GPU clusters and cloud
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