Van der Waals Interactions Dominate Ligand-Protein Association in a Protein Binding Site Occluded from Solvent Water

Engineering & Materials Science

• Protein Binding 100%
• Binding sites 85%
• Ligands 81%
• Titration 69%
• Calorimetry 64%
• Enthalpy 62%
• Proteins 56%
• Complexation 40%
• Solvation 39%
• Water 33%
• Molecular dynamics 27%
• Atoms 25%
• X ray crystallography 21%
• Thermodynamics 20%
• Hydrogen bonds 16%
• Nuclear magnetic resonance 14%
• Computer simulation 13%
• Substitution reactions 12%
• Nitrogen 11%
• Entropy 10%
• Hydrogen 9%

Medicine & Life Sciences

• Calorimetry 84%
• Protein Binding 61%
• major urinary proteins 53%
• Binding Sites 47%
• Ligands 43%
• Water 40%
• Thermodynamics 37%
• Molecular Dynamics Simulation 34%
• 2-isobutyl-3-methoxypyrazine 33%
• Deuterium Exchange Measurement 33%
• Proteins 22%
• X Ray Crystallography 20%
• Hydrogen Bonding 18%
• Entropy 18%
• Hydroxyl Radical 16%
• Site-Directed Mutagenesis 16%
• Nitrogen 15%

Chemistry

• Van Der Waals Force 61%
• Isothermal Titration Calorimetry 54%
• Enthalpy 47%
• Binding Site 43%
• Solvent 28%
• Protein 25%
• Solvation 20%
• Complexation 18%
• Molecular Dynamics 17%
• Simulation 15%
• Thermodynamics 15%
• Site-Directed Mutagenesis 12%
• Protein Structure 11%
• Deuterium(.) 11%
• Hydroxyl 10%
• X-Ray Crystallography 10%
• Substitution Reaction 7%
• Hydrogen Bond 7%
• Nitrogen 7%
• Hydrogen 6%
• Ligand 5%