Conformational changes during permeation of Na+ through a modified cyclic peptide nanotube promote energy landscape roughness

Keyphrases

• Na + 100%
• Conformational Change 100%
• Energy Landscape 100%
• Cyclic Peptide Nanotube 100%
• Lumen 66%
• Coordination number 66%
• Periodic Variation 66%
• Non-periodic 66%
• Structure Function 33%
• Rational Design 33%
• Computational Framework 33%
• Free Energy 33%
• Structural Dynamics 33%
• Functional Groups 33%
• Nanoporous 33%
• Methyl 33%
• Nanotubes 33%
• Ion Permeation 33%
• Internal Energy 33%
• Dihedral Angle 33%
• Potential of Mean Force 33%
• Transport Rate 33%
• Acid Groups 33%
• Benzoic Acid 33%
• Porous System 33%
• Tunable Selectivity 33%
• Position Coordination 33%
• Metadynamics 33%
• Collective Variables 33%

Material Science

• Nanotubes 100%
• Structural Dynamics 25%