Parameterization and Application of the General Amber Force Field to Model Fluoro Substituted Furanose Moieties and Nucleosides

Keyphrases

• Nucleosides 100%
• Fluoro 100%
• Furanose 100%
• Generalized Amber Force Field 100%
• Phase Angle 66%
• Sampling Methods 33%
• Quantum Mechanics 33%
• Potential Energy 33%
• Force Field 33%
• Partial Charges 33%
• Pseudorotation 33%
• Water Model 33%
• Molecular Mechanics Force Field 33%
• Amber 33%
• Relative Energy 33%
• TIP3P 33%
• Nuclear Magnetic Resonance Experiment 33%
• Energy Potential 33%
• Difluoro 33%
• Fluorinated nucleosides 33%
• Umbrella Sampling 33%
• Field Force 33%
• Force Field Calculations 33%
• Conformational Interconversion 33%
• Ring Systems 33%
• Gauche Effect 33%

Chemistry

• Nucleoside 100%
• Potential Energy 100%
• NMR Spectroscopy 50%
• Energetics 50%
• Cyclic Structure 50%
• Pseudorotation 50%
• Molecular Mechanic 50%
• Quantum Theory 50%

Biochemistry, Genetics and Molecular Biology

• Furanose 100%
• Nucleoside 100%
• Molecular Mechanic 33%
• Energy Transfer 33%
• Umbrella Sampling 33%
• Quantum Theory 33%