How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations?

Engineering & Materials Science

• Molecular mechanics 100%
• Free energy 93%
• Molecular dynamics 35%
• Lead 28%
• Proteins 28%
• Ligands 20%
• Computer simulation 17%
• Computational efficiency 15%
• Mean square error 14%
• Thermodynamics 13%
• Costs 5%

Chemical Compounds

• Gibbs Free Energy 58%
• Molecular Mechanic 51%
• Energy 36%
• Simulation 32%
• Free Energy of Binding 32%
• Surface Area 25%
• Molecular Dynamics 19%
• Length 15%
• Error 9%
• Force 8%
• Thermodynamics 8%
• Drug 6%
• Protein 5%

Social Sciences

• energy 53%
• interaction 36%
• mechanic 28%
• simulation 22%
• performance 6%
• ranking 6%
• efficiency 5%
• drug 4%
• costs 4%