Electronic circular dichroism of proteins computed using a diabatisation scheme

Keyphrases

• Accurate Calculation 33%
• Amide Group 33%
• Biomolecules 33%
• Circular Dichroism 100%
• Circular Dichroism Spectroscopy 33%
• Computational Methods 33%
• Diabatization 100%
• Electronic Circular Dichroism 100%
• Electronic Transitions 33%
• Exciton 33%
• First-principles 33%
• Helix 33%
• Nearest-neighbor Interactions 33%
• Peptide Bond 33%
• Protein Dynamics 33%
• Protein Structure 33%
• Secondary Structural Elements 33%
• Yield Improvement 33%

Chemistry

• Carboxamide 25%
• Circular Dichroism 100%
• Electronic Circular Dichroism 100%
• Electronic Transition 25%
• Exciton 25%
• First Principle 25%
• Protein Structure 25%
• Structure 25%

Biochemistry, Genetics and Molecular Biology

• Circular Dichroism 100%
• Dynamics 20%
• Peptide Bond 20%
• Protein Structure 20%