118 related articles for article (PubMed ID: 30608164)
21. Free Energy-Based Coarse-Grained Force Field for Binary Mixtures of Hydrocarbons, Nitrogen, Oxygen, and Carbon Dioxide.
Cao F; Deetz JD; Sun H
J Chem Inf Model; 2017 Jan; 57(1):50-59. PubMed ID: 28029243
[TBL] [Abstract][Full Text] [Related]
22. Learning Coarse-Grained Potentials for Binary Fluids.
Gao P; Yang X; Tartakovsky AM
J Chem Inf Model; 2020 Aug; 60(8):3731-3745. PubMed ID: 32668158
[TBL] [Abstract][Full Text] [Related]
23. Computer simulations of aqua metal ions for accurate reproduction of hydration free energies and structures.
Li X; Tu Y; Tian H; Agren H
J Chem Phys; 2010 Mar; 132(10):104505. PubMed ID: 20232969
[TBL] [Abstract][Full Text] [Related]
24. Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field.
Lamoureux G; Roux B
J Phys Chem B; 2006 Feb; 110(7):3308-22. PubMed ID: 16494345
[TBL] [Abstract][Full Text] [Related]
25. Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect.
Xiao Q; Guo H
Phys Chem Chem Phys; 2016 Nov; 18(43):29808-29824. PubMed ID: 27757454
[TBL] [Abstract][Full Text] [Related]
26. Thermodynamic transferability of coarse-grained potentials for polymer-additive systems.
Brini E; Herbers CR; Deichmann G; van der Vegt NF
Phys Chem Chem Phys; 2012 Sep; 14(34):11896-903. PubMed ID: 22722404
[TBL] [Abstract][Full Text] [Related]
27. Coarse-grained molecular dynamics simulations of the phase behavior of the 4-cyano-4'-pentylbiphenyl liquid crystal system.
Zhang J; Su J; Ma Y; Guo H
J Phys Chem B; 2012 Feb; 116(7):2075-89. PubMed ID: 22243406
[TBL] [Abstract][Full Text] [Related]
28. Ultra-Coarse-Grained Models Allow for an Accurate and Transferable Treatment of Interfacial Systems.
Jin J; Voth GA
J Chem Theory Comput; 2018 Apr; 14(4):2180-2197. PubMed ID: 29481754
[TBL] [Abstract][Full Text] [Related]
29. Temperature-Transferable Coarse-Grained Models for Volumetric Properties of Poly(lactic Acid).
Wu C
J Phys Chem B; 2024 Jan; 128(1):358-370. PubMed ID: 38153413
[TBL] [Abstract][Full Text] [Related]
30. Simulations of Interfacial Tension of Liquid-Liquid Ternary Mixtures Using Optimized Parametrization for Coarse-Grained Models.
Steinmetz D; Creton B; Lachet V; Rousseau B; Nieto-Draghi C
J Chem Theory Comput; 2018 Aug; 14(8):4438-4454. PubMed ID: 29906108
[TBL] [Abstract][Full Text] [Related]
31. Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model.
Li P; Song LF; Merz KM
J Chem Theory Comput; 2015 Apr; 11(4):1645-57. PubMed ID: 26574374
[TBL] [Abstract][Full Text] [Related]
32. Vapor Pressure of Aqueous Solutions of Electrolytes Reproduced with Coarse-Grained Models without Electrostatics.
Perez Sirkin YA; Factorovich MH; Molinero V; Scherlis DA
J Chem Theory Comput; 2016 Jun; 12(6):2942-9. PubMed ID: 27196963
[TBL] [Abstract][Full Text] [Related]
33. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.
Genheden S
J Comput Aided Mol Des; 2017 Oct; 31(10):867-876. PubMed ID: 28875361
[TBL] [Abstract][Full Text] [Related]
34. A top-down and bottom-up combined strategy for parameterization of coarse-grained force fields for phospholipids.
Wan M; Song J; Yang Y; Gao L; Fang W
Phys Chem Chem Phys; 2023 Mar; 25(9):6757-6767. PubMed ID: 36789502
[TBL] [Abstract][Full Text] [Related]
35. Transferable Coarse-Grained Models for Ionic Liquids.
Wang Y; Feng S; Voth GA
J Chem Theory Comput; 2009 Apr; 5(4):1091-8. PubMed ID: 26609619
[TBL] [Abstract][Full Text] [Related]
36. Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations.
Dahlgren B; Reif MM; Hünenberger PH; Hansen N
J Chem Theory Comput; 2012 Oct; 8(10):3542-64. PubMed ID: 26593002
[TBL] [Abstract][Full Text] [Related]
37. Coarse-Grained Potential Model for Structural Prediction of Confined Water.
Mashayak SY; Aluru NR
J Chem Theory Comput; 2012 May; 8(5):1828-40. PubMed ID: 26593674
[TBL] [Abstract][Full Text] [Related]
38. SAFT-γ force field for the simulation of molecular fluids: 2. Coarse-grained models of greenhouse gases, refrigerants, and long alkanes.
Avendaño C; Lafitte T; Adjiman CS; Galindo A; Müller EA; Jackson G
J Phys Chem B; 2013 Mar; 117(9):2717-33. PubMed ID: 23311931
[TBL] [Abstract][Full Text] [Related]
39. Transferability of the coarse-grained potentials for trans-1,4-polybutadiene.
Gao P; Guo H
Phys Chem Chem Phys; 2015 Dec; 17(47):31693-706. PubMed ID: 26554917
[TBL] [Abstract][Full Text] [Related]
40. Toward a Coarse-Grained Protein Model Coupled with a Coarse-Grained Solvent Model: Solvation Free Energies of Amino Acid Side Chains.
Han W; Wan CK; Wu YD
J Chem Theory Comput; 2008 Nov; 4(11):1891-901. PubMed ID: 26620333
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]