Tunable coarse graining for Monte Carlo simulations of proteins via smoothed energy tables: Direct and exchange simulations

Chemical Compounds

• Monte Carlo Method 98%
• Sampling 77%
• Simulation 58%
• Energy 43%
• Protein 38%
• Protein Secondary Structure 30%
• Amount 29%
• Time 25%
• Potential Energy 23%
• Secondary Structure 20%
• Polypeptide 19%
• Benzene 16%
• Force 15%
• Peptide 13%
• Molecule 8%

Physics & Astronomy

• smoothing 100%
• proteins 74%
• sampling 44%
• simulation 35%
• fragments 33%
• energy 27%
• tabulation processes 24%
• interactions 21%
• polypeptides 16%
• peptides 14%
• replicas 14%
• folding 13%
• field theory (physics) 13%
• beads 13%
• benzene 13%
• potential energy 11%
• fluids 7%
• molecules 7%

Engineering & Materials Science

• Proteins 85%
• Sampling 65%
• Polypeptides 37%
• Peptides 30%
• Benzene 28%
• Potential energy 25%
• Molecules 22%
• Fluids 14%