A novel algorithm for creating coarse-grained, density dependent implicit solvent models

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A novel algorithm for creating coarse-grained, density dependent implicit solvent models is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1063/1.2899729
P698PubMed publication ID18433198

P50authorGregory C. RutledgeQ89147863
P2093author name stringErik C Allen
P2860cites workMultiscale coarse graining of liquid-state systemsQ56873343
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metalsQ21708829
A coarse-grained molecular model for glycosaminoglycans: application to chondroitin, chondroitin sulfate, and hyaluronic acid.Q24538625
GROMACS: fast, flexible, and freeQ27860998
Effective energy function for proteins in solutionQ28142746
Solvation energy in protein folding and bindingQ28307568
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Bridging implicit and explicit solvent approaches for membrane electrostaticsQ34178664
Inverse Monte Carlo procedure for conformation determination of macromoleculesQ47976972
Deriving effective mesoscale potentials from atomistic simulations.Q52010759
Phase diagrams of Lennard‐Jones fluidsQ56170623
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteinsQ56776034
P433issue15
P407language of work or nameEnglishQ1860
P304page(s)154115
P577publication date2008-04-01
P1433published inJournal of Chemical PhysicsQ900472
P1476titleA novel algorithm for creating coarse-grained, density dependent implicit solvent models
P478volume128

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cites work (P2860)
Q47697536A multi-state coarse grained modeling approach for an intrinsically disordered peptide
Q38422997A test of systematic coarse-graining of molecular dynamics simulations: thermodynamic properties
Q53178189Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids.
Q50634792Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures.
Q44127104Coarse-grained models using local-density potentials optimized with the relative entropy: Application to implicit solvation
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Q45988113Coarse-grained, density dependent implicit solvent model reliably reproduces behavior of a model surfactant system.
Q57372065Computer Simulations of Soft Matter: Linking the Scales
Q38435957Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains
Q47658510Extending pressure-matching to inhomogeneous systems via local-density potentials
Q48056739Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions.
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Q38692056Perspective: Dissipative particle dynamics
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Q38406873Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect

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