Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields

Keyphrases

• Protein Simulation 100%
• Methylation Dynamics 100%
• AMBER Force Field 100%
• Time Correlation Functions 100%
• Correlation Time 100%
• CCSD(T) 50%
• Relaxation Measurements 50%
• Amber 50%
• Adjustable Parameters 50%
• NMR Spin Relaxation 50%
• Potential Energy Barrier 50%
• Methyl Group Rotation 50%
• C-H Bond 50%
• Relaxation Experiments 50%
• Solvation Model 50%
• Deuterium Relaxation 50%
• Liparis 50%
• Order Parameter 50%
• Coupled Cluster Calculations 50%
• Model Proteins 50%

Chemistry

• Methyl Group 100%
• NMR Spectroscopy 100%
• Relaxation 50%
• Time Correlation Function 50%
• Dipeptide 25%
• Molecular Dynamics 25%
• Solvation 25%
• Deuterium(.) 25%
• Coupled Cluster Theory 25%
• CCSD 25%
• Order Parameter 25%
• Potential Energy Barrier 25%
• Spin Relaxation 25%