115 related articles for article (PubMed ID: 28886630)
1. Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients.
Anderson RL; Bray DJ; Ferrante AS; Noro MG; Stott IP; Warren PB
J Chem Phys; 2017 Sep; 147(9):094503. PubMed ID: 28886630
[TBL] [Abstract][Full Text] [Related]
2. Phase Behavior of Alkyl Ethoxylate Surfactants in a Dissipative Particle Dynamics Model.
Anderson RL; Gunn DSD; Taddese T; Lavagnini E; Warren PB; Bray DJ
J Phys Chem B; 2023 Feb; 127(7):1674-1687. PubMed ID: 36786752
[TBL] [Abstract][Full Text] [Related]
3. Parametrization of Chain Molecules in Dissipative Particle Dynamics.
Lee MT; Mao R; Vishnyakov A; Neimark AV
J Phys Chem B; 2016 Jun; 120(22):4980-91. PubMed ID: 27167160
[TBL] [Abstract][Full Text] [Related]
4. 1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies.
Garrido NM; Queimada AJ; Jorge M; Macedo EA; Economou IG
J Chem Theory Comput; 2009 Sep; 5(9):2436-46. PubMed ID: 26616624
[TBL] [Abstract][Full Text] [Related]
5. Micelle Formation in Alkyl Sulfate Surfactants Using Dissipative Particle Dynamics.
Anderson RL; Bray DJ; Del Regno A; Seaton MA; Ferrante AS; Warren PB
J Chem Theory Comput; 2018 May; 14(5):2633-2643. PubMed ID: 29570296
[TBL] [Abstract][Full Text] [Related]
6. Prediction of the Critical Micelle Concentration of Nonionic Surfactants by Dissipative Particle Dynamics Simulations.
Vishnyakov A; Lee MT; Neimark AV
J Phys Chem Lett; 2013 Mar; 4(5):797-802. PubMed ID: 26281935
[TBL] [Abstract][Full Text] [Related]
7. Direct calculation of 1-octanol-water partition coefficients from adaptive biasing force molecular dynamics simulations.
Bhatnagar N; Kamath G; Chelst I; Potoff JJ
J Chem Phys; 2012 Jul; 137(1):014502. PubMed ID: 22779660
[TBL] [Abstract][Full Text] [Related]
8. A Surface Site Interaction Point Method for Dissipative Particle Dynamics Parametrization: Application to Alkyl Ethoxylate Surfactant Self-Assembly.
Lavagnini E; Cook JL; Warren PB; Williamson MJ; Hunter CA
J Phys Chem B; 2020 Jun; 124(24):5047-5055. PubMed ID: 32510951
[TBL] [Abstract][Full Text] [Related]
9. Comparison of two simulation methods to compute solvation free energies and partition coefficients.
Yang L; Ahmed A; Sandler SI
J Comput Chem; 2013 Feb; 34(4):284-93. PubMed ID: 23109246
[TBL] [Abstract][Full Text] [Related]
10. Effectively parameterizing dissipative particle dynamics using COSMO-SAC: A partition coefficient study.
Saathoff J
J Chem Phys; 2018 Apr; 148(15):154102. PubMed ID: 29679968
[TBL] [Abstract][Full Text] [Related]
11. Why the partition coefficient of ionic liquids is concentration-dependent.
Köddermann T; Reith D; Arnold A
J Phys Chem B; 2013 Sep; 117(37):10711-8. PubMed ID: 23964729
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. New parametrization method for dissipative particle dynamics.
Travis KP; Bankhead M; Good K; Owens SL
J Chem Phys; 2007 Jul; 127(1):014109. PubMed ID: 17627339
[TBL] [Abstract][Full Text] [Related]
14. A simple McGowan specific volume correction for branching in hydrocarbons and its consequences for some other solvation parameter values.
van Noort PC; Haftka JJ; Parsons JR
Chemosphere; 2011 Aug; 84(8):1102-7. PubMed ID: 21550626
[TBL] [Abstract][Full Text] [Related]
15. Partition coefficients of nonionic surfactants in water/n-alkane systems.
Catanoiu G; Carey E; Patil SR; Engelskirchen S; Stubenrauch C
J Colloid Interface Sci; 2011 Mar; 355(1):150-6. PubMed ID: 21193201
[TBL] [Abstract][Full Text] [Related]
16. Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants.
Truszkowski A; Epple M; Fiethen A; Zielesny A; Kuhn H
J Colloid Interface Sci; 2013 Nov; 410():140-5. PubMed ID: 24016746
[TBL] [Abstract][Full Text] [Related]
17. Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water.
Bannan CC; Calabró G; Kyu DY; Mobley DL
J Chem Theory Comput; 2016 Aug; 12(8):4015-24. PubMed ID: 27434695
[TBL] [Abstract][Full Text] [Related]
18. Predicting Partition Coefficients with a Simple All-Atom/Coarse-Grained Hybrid Model.
Genheden S
J Chem Theory Comput; 2016 Jan; 12(1):297-304. PubMed ID: 26592737
[TBL] [Abstract][Full Text] [Related]
19. 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]
20. Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates.
Mai Z; Couallier E; Rakib M; Rousseau B
J Chem Phys; 2014 May; 140(20):204902. PubMed ID: 24880320
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]