Predicting solvated peptide conformations via global minimization of energetic atom-to-atom interactions

Keyphrases

• Solvate 100%
• Potential Energy 100%
• Global Minimum 100%
• Global Minimization 100%
• Energy Contribution 100%
• Peptide Conformation 100%
• Free Energy Model 50%
• Prediction Problems 50%
• Solvation Free Energy 50%
• Force Field Model 50%
• Global Optimization Method 50%
• Structure Prediction 50%
• Oligopeptides 50%
• Solvation Model 50%
• Hydration Shell 50%
• Solvent Accessible Surface Area 50%
• Accessible Volume 50%

Engineering

• Energy Engineering 100%
• Energetics 100%
• Optimization Method 50%
• Prediction Problem 50%
• Potential Energy 50%
• Field Model 50%
• Conformers 50%

Mathematics

• Energetics 100%
• Prediction Problem 100%
• Lower and upper bounds 100%
• Energy Model 100%