Free Energy Calculations of Microcin J25 Variants Binding to the FhuA Receptor

Engineering & Materials Science

• Peptides 75%
• Free energy 68%
• Hydrogen bonds 39%
• Molecular dynamics 32%
• Bacteria 32%
• Computer simulation 31%
• Thermodynamics 24%
• Membranes 24%

Chemical Compounds

• Microcin 100%
• Gibbs Free Energy 43%
• Simulation 9%
• Polypeptide Antibiotic Agent 7%
• Mutation 6%
• Molecular Dynamics 5%
• Thermodynamics 4%
• Hydrogen Bond 4%
• Peptide 4%

Physics & Astronomy

• free energy 46%
• peptides 25%
• mutations 13%
• bacteria 12%
• hydrogen bonds 11%
• acquisition 10%
• computerized simulation 9%
• analogs 9%
• membranes 8%
• molecular dynamics 8%
• thermodynamics 7%
• perturbation 7%
• cells 6%
• simulation 4%