(Q51585145)

7 April 2018

title

Obtaining fully dynamic coarse-grained models from MD. (English)

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7 April 2018

author name string

Pep Español

series ordinal

1

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7 April 2018

Ignacio Zúñiga

series ordinal

2

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7 April 2018

language of work or name

English

0 references

publication date

25 March 2011

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7 April 2018

Physical Chemistry Chemical Physics

number of pages

8

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based on heuristic

inferred from page(s)

published in

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7 April 2018

volume

13

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7 April 2018

issue

22

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7 April 2018

page(s)

10538-10545

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7 April 2018

Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back

cites work

1 reference

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Molecular dynamics simulations of biomolecules

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Coarse-grained model for phospholipid/cholesterol bilayer

21 January 2018

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Systematic coarse-graining of molecular models by the Newton inversion method

21 January 2018

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Multiscale coarse graining of liquid-state systems

21 January 2018

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The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

21 January 2018

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The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

21 January 2018

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The relative entropy is fundamental to multiscale and inverse thermodynamic problems

21 January 2018

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Mori-Zwanzig formalism as a practical computational tool.

21 January 2018

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Memory Effects in Irreversible Thermodynamics

21 January 2018

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Coarse-grained kinetic computations for rare events: application to micelle formation.

21 January 2018

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Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations.

21 January 2018

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Multidimensional Langevin modeling of biomolecular dynamics

21 January 2018

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Reconstructing Potentials of Mean Force through Time Series Analysis of Steered Molecular Dynamics Simulations

21 January 2018

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Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids

21 January 2018

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Coarse graining of nonbonded degrees of freedom.

21 January 2018

1 reference

https://api.crossref.org/works/10.1039%2FC0CP02826F

Fluctuations and Irreversible Processes

21 January 2018

1 reference

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A Bayesian statistics approach to multiscale coarse graining.

21 January 2018

1 reference

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Position-dependent diffusion coefficients and free energies from Bayesian analysis of equilibrium and replica molecular dynamics simulations

21 January 2018

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21 January 2018

Identifiers

DOI

10.1039/C0CP02826F

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7 April 2018

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7 April 2018