(Q51134805)

30 March 2018

title

A new quantum method for electrostatic solvation energy of protein. (English)

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Ye Mei

1

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John Z. H. Zhang

series ordinal

3

object named as

John Z H Zhang

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30 March 2018

author name string

Changge Ji

series ordinal

2

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language of work or name

English

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publication date

1 September 2006

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Journal of Chemical Physics

published in

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volume

125

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issue

9

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page(s)

094906

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Classical electrostatics in biology and chemistry

cites work

1 reference

Direct calculation of electron density in density-functional theory

21 January 2018

1 reference

A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants.

21 January 2018

1 reference

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

Optimized Radii for Poisson-Boltzmann Calculations with the AMBER Force Field

21 January 2018

1 reference

Electrostatic interactions in macromolecules: theory and applications

21 January 2018

1 reference

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

1 reference

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

21 January 2018

1 reference

Electrostatic component of solvation: Comparison of SCRF continuum models

21 January 2018

1 reference

New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions

21 January 2018

1 reference

New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

21 January 2018

1 reference

Polarizable dielectric model of solvation with inclusion of charge penetration effects

21 January 2018

1 reference

Charge penetration in dielectric models of solvation

21 January 2018

1 reference

Reaction field treatment of charge penetration

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2345201

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30 March 2018

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30 March 2018