Kang YK, Nemethy G, Scheraga HA. Free energies of hydration of solute molecules 1. Improvement of the hydration shell model by exact computations of overlap volumes. J Chem Phys 1987;91: 4105--4109. Home/Search Document Not in Database Summary Related Articles Check |
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Global Optimization Approaches in Protein Folding and.. - Floudas, Klepeis.. (1999) (Correct)
....second method, given in Equation 2.9, assumes that the solvation energy is proportional to the solvent accessible volume of a hydration layer. E solv = N X i=1 V i ffi i (2. 9) Several methods have been developed for calculating the hydration volumes, V i , and the free energy parameters, ffi i [13, 68, 77, 78, 79, 80]. A recent and computationally inexpensive method has been based on a Gaussian approximation for 6 C. A. FLOUDAS, J. L. KLEPEIS, AND P. M. PARDALOS the volume of a hydration layer [13] This method also inherently avoids numerical problems associated with possible discontinuities. It should be ....
Y. K. Kang, K. D. Gibson, G. N'emethy and H. A. Scheraga, Free energies of hydration of solute molecules 4. Revised treatment of the hydration shell model, J. Phys. Chem., 92, (1988), 4739-4742.
Global Optimization Approaches in Protein Folding and.. - Floudas, Klepeis.. (1999) (Correct)
....second method, given in Equation 2.9, assumes that the solvation energy is proportional to the solvent accessible volume of a hydration layer. E solv = N X i=1 V i ffi i (2. 9) Several methods have been developed for calculating the hydration volumes, V i , and the free energy parameters, ffi i [13, 68, 77, 78, 79, 80]. A recent and computationally inexpensive method has been based on a Gaussian approximation for 6 C. A. FLOUDAS, J. L. KLEPEIS, AND P. M. PARDALOS the volume of a hydration layer [13] This method also inherently avoids numerical problems associated with possible discontinuities. It should be ....
Y. K. Kang, G. N'emethy and H. A. Scheraga, Free energies of hydration of solute molecules 3. Application of the hydration shell model to charged organic molecules, J. Phys. Chem., 91, (1987), 4118-4120.
Global Optimization Approaches in Protein Folding and.. - Floudas, Klepeis.. (1999) (Correct)
....second method, given in Equation 2.9, assumes that the solvation energy is proportional to the solvent accessible volume of a hydration layer. E solv = N X i=1 V i ffi i (2. 9) Several methods have been developed for calculating the hydration volumes, V i , and the free energy parameters, ffi i [13, 68, 77, 78, 79, 80]. A recent and computationally inexpensive method has been based on a Gaussian approximation for 6 C. A. FLOUDAS, J. L. KLEPEIS, AND P. M. PARDALOS the volume of a hydration layer [13] This method also inherently avoids numerical problems associated with possible discontinuities. It should be ....
Y. K. Kang, G. N'emethy and H. A. Scheraga, Free energies of hydration of solute molecules 2. Application of the hydration shell model to nonionic organic molecules, J. Phys. Chem., 91, (1987), 4109-4117.
Global Optimization Approaches in Protein Folding and.. - Floudas, Klepeis.. (1999) (Correct)
....second method, given in Equation 2.9, assumes that the solvation energy is proportional to the solvent accessible volume of a hydration layer. E solv = N X i=1 V i ffi i (2. 9) Several methods have been developed for calculating the hydration volumes, V i , and the free energy parameters, ffi i [13, 68, 77, 78, 79, 80]. A recent and computationally inexpensive method has been based on a Gaussian approximation for 6 C. A. FLOUDAS, J. L. KLEPEIS, AND P. M. PARDALOS the volume of a hydration layer [13] This method also inherently avoids numerical problems associated with possible discontinuities. It should be ....
Y. K. Kang, G. N'emethy and H. A. Scheraga, Free energies of hydration of solute molecules 1. Improvement of hydration shell model by exact computations of overlapping volumes, J. Phys. Chem., 91, (1987), 4105-4109.
Effective Energy Function for Proteins in Solution - Lazaridis, Karplus (1999) (5 citations) (Correct)
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Kang YK, Nemethy G, Scheraga HA. Free energies of hydration of solute molecules 1. Improvement of the hydration shell model by exact computations of overlap volumes. J Chem Phys 1987;91: 4105--4109.
Deterministic Global Optimization For Protein Structure.. - Klepeis, Floudas (Correct)
No context found.
Kang, Y. K., N'emethy, G., and Scheraga, H. A. (1987b). Free energies of hydration of solute molecules 3. application of the hydration shell model to charged organic molecules. J. Phys. Chem., 91:4118.
Deterministic Global Optimization For Protein Structure.. - Klepeis, Floudas (Correct)
No context found.
Kang, Y. K., N'emethy, G., and Scheraga, H. A. (1987a). Free energies of hydration of solute molecules 2. application of the hydration shell model to nonionic organic molecules. J. Phys. Chem., 91:4109.
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