Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum (Q36781053)

16 August 2017

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title

Polarizable atomic multipole solutes in a Poisson-Boltzmann continuum (English)

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16 August 2017

2

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16 August 2017

Michael J Schnieders

1

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16 August 2017

Pengyu Ren

series ordinal

3

1 reference

16 August 2017

Jay W Ponder

series ordinal

4

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16 August 2017

language of work or name

English

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publication date

1 March 2007

1 reference

Journal of Chemical Physics

16 August 2017

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16 August 2017

126

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16 August 2017

124114

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16 August 2017

12

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16 August 2017

Implicit solvent models

1 reference

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1 reference

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Improving implicit solvent simulations: a Poisson-centric view

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Computational protein design is a challenge for implicit solvation models

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1 reference

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1 reference

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1 reference

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1 reference

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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

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1 reference

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De novo protein design: fully automated sequence selection

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1 reference

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Classical electrostatics in biology and chemistry

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1 reference

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AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution

29 September 2017

1 reference

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

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Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy

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Generalized coarse-grained model based on point multipole and Gay-Berne potentials.

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A self-consistent reaction field model of solvation using distributed multipoles. I. Energy and energy derivatives

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1 reference

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An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation

5 September 2018

1 reference

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Poisson–Boltzmann Methods for Biomolecular Electrostatics

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1 reference

General parameterized SCF model for free energies of solvation in aqueous solution

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton

21 January 2018

1 reference

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SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters

4 December 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17411115

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein-Ligand Interactions

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17411115

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17411115

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.2714528

1 reference

16 August 2017

1 reference

16 August 2017

1 reference