Role of Electrostatics in the Structure, Energy, and Dynamics of Biomolecules: A Model Study of N-Methylalanylacetamide

Keyphrases

• Dipeptide 100%
• Biomolecule Dynamics 100%
• Amino Acids 50%
• Dynamic Properties 50%
• Structural Properties 50%
• Energy Function 50%
• Molecular Dynamics Trajectories 50%
• Alanine Dipeptide 50%
• Structural Dynamics 50%
• Potential Surface 50%
• Electrostatic Interaction 50%
• Normal Mode Analysis 50%
• Relative Energy 50%
• Electrostatic Contribution 50%
• Thermodynamic Quantities 50%
• Weakly Dependent 50%
• Energetic Properties 50%
• Minimum Energy Structure 50%
• Structural Energetics 50%
• Few-mode 50%
• Partial Atomic Charges 50%
• Anharmonic Effect 50%
• Absolute Energy 50%

Chemistry

• Dipeptide 100%
• Electrostatic Force 100%
• Conformational Isomer 66%
• Molecular Dynamics 33%
• Statistical Ensemble 33%
• Surface Potential 33%
• Energetics 33%
• Normal Modes 33%
• Electrostatic Interaction 33%
• Standard Model 33%
• Amino Acid 33%
• Alanine 33%