Integral equation model for aqueous solvatlon of polyatomic solutes: Application to the determination of the free energy surface for the internal motion of biomolecules

Keyphrases

• Biomolecules 100%
• Solute 100%
• Potential of Mean Force 100%
• Free Energy Surface 100%
• Internal Motion 100%
• Integral Equation Model 100%
• Aqueous Solution 66%
• Polyatomic Molecules 66%
• Biopolymers 33%
• Integral Equations 33%
• Energy Function 33%
• Solvent Distribution 33%
• Alanine Dipeptide 33%
• Integral Equation Theory 33%
• Solute-solvent 33%
• Force Surface 33%
• Site Potential 33%
• Ornstein-Zernike 33%
• Molecular Systems 33%
• Superposition Approximation 33%
• Solvate 33%
• Distribution Function 33%
• Reduced Simulation 33%
• Simulation Techniques 33%
• Atom Pairs 33%
• Internal Degrees of Freedom 33%

Chemistry

• Distribution Function 50%