Incorporating variable dielectric environments into the generalized Born model (Q44909942)

7 December 2017

title

Incorporating variable dielectric environments into the generalized Born model (English)

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7 December 2017

Grigori Sigalov

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7 December 2017

Peter Scheffel

series ordinal

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7 December 2017

Alexey Onufriev

series ordinal

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7 December 2017

language of work or name

English

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publication date

1 March 2005

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Journal of Chemical Physics

7 December 2017

published in

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7 December 2017

volume

122

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7 December 2017

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7 December 2017

page(s)

094511

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Semianalytical treatment of solvation for molecular mechanics and dynamics

7 December 2017

cites work

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

21 January 2018

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Generalized born models of macromolecular solvation effects

21 January 2018

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Pairwise solute descreening of solute charges from a dielectric medium

21 January 2018

1 reference

Free energy surfaces of beta-hairpin and alpha-helical peptides generated by replica exchange molecular dynamics with the AGBNP implicit solvent model

21 January 2018

1 reference

Protein molecular dynamics with the generalized born/ACE solvent model

21 January 2018

1 reference

Exploring protein native states and large-scale conformational changes with a modified generalized born model

21 January 2018

1 reference

AGBNP: an analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.

21 January 2018

1 reference

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

21 January 2018

1 reference

Simulation of the folding equilibrium of α-helical peptides: A comparison of the generalized Born approximation with explicit solvent

21 January 2018

1 reference

Distinguish protein decoys by using a scoring function based on a new AMBER force field, short molecular dynamics simulations, and the generalized born solvent model

21 January 2018

1 reference

Classical electrostatics in biology and chemistry

21 January 2018

1 reference

Calculations of proton-binding thermodynamics in proteins

21 January 2018

1 reference

Theory of electrostatic interactions in macromolecules

21 January 2018

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Accelerated Poisson-Boltzmann calculations for static and dynamic systems

21 January 2018

1 reference

Effective Born radii in the generalized Born approximation: the importance of being perfect

21 January 2018

1 reference

pKa's of ionizable groups in proteins: atomic detail from a continuum electrostatic model

21 January 2018

1 reference

van der Waals Volumes and Radii

21 January 2018

1 reference

Solvent-accessible surfaces of proteins and nucleic acids

21 January 2018

1 reference

An Implicit Membrane Generalized Born Theory for the Study of Structure, Stability, and Interactions of Membrane Proteins

21 January 2018

1 reference

Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium

21 January 2018

1 reference

Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.1857811

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7 December 2017

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