<p>Relative <i>ΔG<sub>hyd</sub></i>, Relative free energy of hydration, is total energy divided by number of residues.</p
We present a general method called atom-wise free energy perturbation (AFEP), which extends a conven...
In this work, we report a novel method for the estimation of the hydration free energy of organic mo...
For a large number of protein it has now been stablishcd that their na-tives structures are thermody...
The hydration free energy (HFE) is a critical property for predicting and understanding chemical and...
A new method was suggested for estimating the hydrophobic effect of contributions to the Gibbs energ...
ABSTRACT: Accurate prediction of hydration free energies is a key objective of any free energy metho...
Describes the accurate calculation of the hydration free energies of biologically active molecules u...
Accurate experimental values for the free energies of hydration, or the free energies of solvation, ...
<p>Relative magnitude of the average hydrogen bonding energy (solid line) versus the total average e...
Computational free-energy correction strategies and the choice of experimental proton hydration free...
We propose to improve the existing free energy expressions obtained within the framework of the refe...
Additional file 1. Contains chemical structures, experimental and calculated solvation free energies...
We report a simple universal method to systematically improve the accuracy of hydration free energie...
Accurate experimental values for the free energies of hydration, or the free energies of solvation, ...
Reaction rate and equilibrium constants in aqueous solutions are affected by the strength of hydroge...
We present a general method called atom-wise free energy perturbation (AFEP), which extends a conven...
In this work, we report a novel method for the estimation of the hydration free energy of organic mo...
For a large number of protein it has now been stablishcd that their na-tives structures are thermody...
The hydration free energy (HFE) is a critical property for predicting and understanding chemical and...
A new method was suggested for estimating the hydrophobic effect of contributions to the Gibbs energ...
ABSTRACT: Accurate prediction of hydration free energies is a key objective of any free energy metho...
Describes the accurate calculation of the hydration free energies of biologically active molecules u...
Accurate experimental values for the free energies of hydration, or the free energies of solvation, ...
<p>Relative magnitude of the average hydrogen bonding energy (solid line) versus the total average e...
Computational free-energy correction strategies and the choice of experimental proton hydration free...
We propose to improve the existing free energy expressions obtained within the framework of the refe...
Additional file 1. Contains chemical structures, experimental and calculated solvation free energies...
We report a simple universal method to systematically improve the accuracy of hydration free energie...
Accurate experimental values for the free energies of hydration, or the free energies of solvation, ...
Reaction rate and equilibrium constants in aqueous solutions are affected by the strength of hydroge...
We present a general method called atom-wise free energy perturbation (AFEP), which extends a conven...
In this work, we report a novel method for the estimation of the hydration free energy of organic mo...
For a large number of protein it has now been stablishcd that their na-tives structures are thermody...
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