Molecular fractionation with conjugated caps density matrix with pairwise interaction correction for protein energy calculation

Physics & Astronomy

• fractionation 89%
• caps 76%
• proteins 58%
• interactions 28%
• energy 21%
• fragments 20%
• peptides 13%
• dipole moments 10%
• density functional theory 9%
• electrostatics 9%
• hydrogen 7%
• polymers 7%
• polarization 6%
• molecules 6%
• electronics 6%

Chemical Compounds

• Fractionation 64%
• Energy 34%
• Electron Density 33%
• Protein 30%
• Electrostatic Potential 18%
• Electronic Property 14%
• Polarization 13%
• Density Functional Theory 11%
• Peptide 10%
• Hydrogen 9%