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Coarse-Grained Molecular Models of Water: A Review

author

Clare McCabe

published in: Molecular Simulation

date of publication: 2012-07-04

Cites articles 51

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2012-03-14

A Simulation Study of the Self-Assembly of Coarse-Grained Skin Lipids
2011-05-05

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions

Jia-Wei Shen, Nico van der Vegt
2011-10-01

Physical Modeling of Aqueous Solvation

Ken A. Dill
2011-11-23

Structural transformation in supercooled water controls the crystallization rate of ice.

Valeria Molinero
2011-01-01

Advances in implicit models of water solvent to compute conformational free energy and molecular dynamics of proteins at constant pH.
2011-08-17

Water Defect and Pore Formation in Atomistic and Coarse-Grained Lipid Membranes: Pushing the Limits of Coarse Graining

Drew Bennett
2011-02-01

A simple, efficient polarizable coarse-grained water model for molecular dynamics simulations

Sereina Riniker, Wilfred F van Gunsteren
2011-06-06

Combining a polarizable force-field and a coarse-grained polarizable solvent model. II. Accounting for hydrophobic effects
2011-07-28

The CUMULUS coarse graining method: transferable potentials for water and solutes
2010-12-14

A coarse-grained model of DNA with explicit solvation by water and ions

Thomas E. Cheatham, III, Valeria Molinero
2010-11-01

A structurally relevant coarse-grained model for cholesterol
2010-06-10

Polarizable water model for the coarse-grained MARTINI force field

Durba Sengupta, Semen O. Yesylevskyy, Lars V Schäfer, Siewert J Marrink
2010-05-01

Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field

Wataru Shinoda, Michael L. Klein
2010-04-01

A coarse-grained model for amorphous and crystalline fatty acids

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2010-04-01

On the investigation of coarse-grained models for water: balancing computational efficiency and the retention of structural properties

Clare McCabe
2010-01-01

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

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2010-08-01

A new coarse-grained model for water: the importance of electrostatic interactions

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2010-06-01

A methane-water model for coarse-grained simulations of solutions and clathrate hydrates.

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A Coarse-Grained Model Based on Morse Potential for Water and n-Alkanes
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Theory for the three-dimensional Mercedes-Benz model of water

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Water modeled as an intermediate element between carbon and silicon

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Anomalous waterlike behavior in spherically-symmetric water models optimized with the relative entropy
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Comparative atomistic and coarse-grained study of water: what do we lose by coarse-graining?

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2009-07-01

Thermodynamic stability and growth of guest-free clathrate hydrates: a low-density crystal phase of water

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Coarse-grained force field for simulating polymer-tethered silsesquioxane self-assembly in solution.

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An automatic coarse-graining and fine-graining simulation method: application on polyethylene
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Article - wd:Q34294897

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