Revisiting Free Energy Calculations: A Theoretical Connection to MM/PBSA and Direct Calculation of the Association Free Energy

Biochemistry, Genetics and Molecular Biology

• Molecular Mechanic 100%
• Surface Area 100%
• Dynamics 50%
• Immunophilin 50%
• Receptor Binding 50%
• Protein-Protein Interaction 50%
• Binding Affinity 50%
• Protein Conformation 50%

Chemistry

• Gibbs Free Energy 100%
• Surface Area 100%
• Molecular Mechanic 100%
• Protein Interaction 20%
• Receptor Binding Affinity 20%

Engineering

• Energy Method 50%