Pronounced conformational flexibility of physiological (L-histidinato)(L-threoninato)copper(II) in aqueous solution disclosed by a quantum chemical study

Physics & Astronomy

• aqueous solutions 100%
• configurations 11%
• copper 77%
• density functional theory 33%
• energy 12%
• flexibility 98%
• geometry 12%
• glycine 27%
• hydrogen bonds 22%
• interactions 17%
• molecules 11%
• simulation 8%
• vacuum 27%
• vapor phases 52%
• water 12%

Chemistry

• Aqueous Solution 56%
• Conformational Isomer 95%
• Density Functional Theory 33%
• Flexibility 86%
• Gas 42%
• Hydrogen Bond 16%
• Intermolecular Force 23%
• Molecule 9%
• pH Value 11%
• Simulation 17%
• Strain 37%
• Vacuum 43%

Engineering & Materials Science

• Amino acids 25%
• Copper 88%
• Density functional theory 64%
• Gases 37%
• Geometry 13%
• Hydrogen bonds 29%
• Molecules 21%
• Vacuum 38%
• Water 11%