Alchemical free energy simulations for biological complexes: Powerful but temperamental...

Neuroscience

• Face 100%
• Aspartic Acid 100%
• Tetracycline 100%
• Aspartate Transfer RNA Ligase 100%
• Histidine 100%
• Receptor 100%

Biochemistry, Genetics and Molecular Biology

• Aspartic Acid 100%
• Dynamics 50%
• Enzyme 50%
• Protonation 50%
• Molecular Recognition 50%
• Genetic Engineering and Gene Technology 50%
• Transfer RNA 50%
• Histidine 50%

Chemistry

• Free Energy 100%
• Aspartic Acid 66%
• Molecular Dynamics 33%
• Dielectric Material 33%
• Molecular Recognition 33%
• Aspartate 33%
• Tetracycline 33%
• Histidine 33%
• Transfer RNA 33%
• protonation 33%