Free Energy Perturbation: A Computational Approach to Molecular Interactions
Keyword: Free energy perturbation html Free Energy Perturbation: A Computational Approach to Molecular Interactions Free Energy Perturbation (FEP) is a powerful computational technique used to study molecular interactions and thermodynamic properties in chemistry, biochemistry, and drug discovery. By simulating small perturbations in molecular systems, FEP provides insights into binding affinities, solvation energies, and other critical […]