Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins

Keyphrases

• Active Site Model 33%
• Active Sites 33%
• Basic Proteins 33%
• Blue Copper Protein 100%
• Charge Transfer Band 33%
• Circular Dichroism Spectra 33%
• Circular Dichroism Spectroscopy 100%
• Classical Molecular Dynamics Simulations 33%
• Computational Study 100%
• Cucumber 33%
• Cysteine 33%
• Electronic Circular Dichroism Spectrum 33%
• Energy Strength 33%
• Excitation Energy 33%
• Histidine 33%
• Ligand Field Molecular Mechanics 100%
• Ligand-to-metal Charge Transfer 33%
• Modified Structure 33%
• Molecular Dynamics 33%
• Molecular Dynamics Simulation 33%
• Molecular Ligand 33%
• Molecular Mechanics Force Field 33%
• Multireference Configuration Interaction 33%
• Non-planarity 33%
• Optical Dichroism 33%
• Oxidized Form 33%
• Plastocyanin 33%
• Quantum Mechanics-molecular Mechanics 33%
• Rotational Strength 33%
• Single Structure 33%
• Spectral Features 33%
• Spectrum-based 66%
• Structure Optimization 33%
• Transition Strengths 33%
• Ultraviolet Absorption 33%

Chemistry

• Blue 100%
• Circular Dichroism 100%
• Copper Protein 100%
• Crystal Structure 25%
• Cysteine 25%
• Electronic Circular Dichroism 100%
• Histidine 25%
• Molecular Dynamics 75%
• Molecular Mechanic 100%
• Multireference Configuration Interaction 25%
• Quantum Mechanics 25%

Biochemistry, Genetics and Molecular Biology

• Absorption 25%
• Active Site 50%
• Circular Dichroism 100%
• Copper Protein 100%
• Crystal Structure 25%
• Cysteine 25%
• Dynamics 75%
• Histidine 25%
• Molecular Mechanic 100%
• Plastocyanin 25%
• Quantum Mechanics 25%