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Binding Free Energies of Water Molecules in Protein Active Sites

W. Coul. VdW. D A s. D A r. D A w. D A tot. rms. w1. 12.1. -1.9. 0.4. -3.0. 5.9. 1.7. 0.1. w2. 8.7. -1.4. 0.4. -3.2. 5.9. -1.4. 0.4. w3. 13.4. -1.1. 0.4. -3.2. 5.9. 3.6. 0.1. UIC. w4. 14.9. -1.1. 0.4. -3.2. 5.9. 4.0. 0.4. 3+4. 22.4. 0.7. 0.8. -6.8.

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Free energy cost - PowerPoint PPT Presentation

Binding Free Energies of Water Molecules in Protein Active Sites