Large-scale molecular dynamics simulations of HLA-A*0201 complexed with a tumor-specific antigenic peptide: can the α3 and β2m domains be neglected?

Mathematics

• Binding Energy 25%
• Class 9%
• Conformation 41%
• Entire 13%
• High Performance Computing 50%
• Human 29%
• Major Histocompatibility Complex 60%
• Model 5%
• Molecular Dynamics 44%
• Molecular Dynamics Simulation 100%
• Network Structure 20%
• Partial 21%
• Peptides 92%
• Protein 33%
• Resources 30%
• Simulation 20%
• Surface area 19%
• System Simulation 23%
• Tumor 69%
• Water 16%

Chemistry

• Binding Energy 11%
• Molecular Dynamics 47%
• Peptide 37%
• Protein 10%
• Simulation 40%
• Surface Area 8%