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On the Charge and Molecule Based Summations of Solvent Electrostatic Potentials and the Validity of Electrostatic Linear Response in Water

✍ Scribed by C. Satheesan Babu; Pei-Kun Yang; Carmay Lim

Book ID
110392151
Publisher
Springer Netherlands
Year
2002
Tongue
English
Weight
231 KB
Volume
28
Category
Article
ISSN
0092-0606

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Electrostatic solvation free energy of a
Electrostatic solvation free energy of amino acid side chain analogs: Implications for the validity of electrostatic linear response in water
✍ Bin Lin; B. Montgomery Pettitt πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 303 KB πŸ‘ 1 views

## Abstract Electrostatic free energies of solvation for 15 neutral amino acid side chain analogs are computed. We compare three methods of varying computational complexity and accuracy for three force fields: free energy simulations, Poisson‐Boltzmann (PB), and linear response approximation (LRA)