Bray DJ - Search Results

1

Dissipative particle dynamics: Systematic parametrization using water-octanol partition coefficients.

Anderson RL, Bray DJ, Ferrante AS, Noro MG, Stott IP, Warren PB. Anderson RL, et al. Among authors: bray dj. J Chem Phys. 2017 Sep 7;147(9):094503. doi: 10.1063/1.4992111. J Chem Phys. 2017. PMID: 28886630

2

Complete Structure of an Epithelial Keratin Dimer: Implications for Intermediate Filament Assembly.

Bray DJ, Walsh TR, Noro MG, Notman R. Bray DJ, et al. PLoS One. 2015 Jul 16;10(7):e0132706. doi: 10.1371/journal.pone.0132706. eCollection 2015. PLoS One. 2015. PMID: 26181054 Free PMC article.

3

Toward a Standard Protocol for Micelle Simulation.

Johnston MA, Swope WC, Jordan KE, Warren PB, Noro MG, Bray DJ, Anderson RL. Johnston MA, et al. Among authors: bray dj. J Phys Chem B. 2016 Jul 7;120(26):6337-51. doi: 10.1021/acs.jpcb.6b03075. Epub 2016 May 9. J Phys Chem B. 2016. PMID: 27096611

4

Micelle Formation in Alkyl Sulfate Surfactants Using Dissipative Particle Dynamics.

Anderson RL, Bray DJ, Del Regno A, Seaton MA, Ferrante AS, Warren PB. Anderson RL, et al. Among authors: bray dj. J Chem Theory Comput. 2018 May 8;14(5):2633-2643. doi: 10.1021/acs.jctc.8b00075. Epub 2018 Apr 13. J Chem Theory Comput. 2018. PMID: 29570296

5

Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields.

McDonagh JL, Shkurti A, Bray DJ, Anderson RL, Pyzer-Knapp EO. McDonagh JL, et al. Among authors: bray dj. J Chem Inf Model. 2019 Oct 28;59(10):4278-4288. doi: 10.1021/acs.jcim.9b00646. Epub 2019 Sep 27. J Chem Inf Model. 2019. PMID: 31549507

6

Efficient Algorithm for the Topological Characterization of Worm-like and Branched Micelle Structures from Simulations.

Conchuir BO, Gardner K, Jordan KE, Bray DJ, Anderson RL, Johnston MA, Swope WC, Harrison A, Sheehy DR, Peters TJ. Conchuir BO, et al. Among authors: bray dj. J Chem Theory Comput. 2020 Jul 14;16(7):4588-4598. doi: 10.1021/acs.jctc.0c00311. Epub 2020 Jul 1. J Chem Theory Comput. 2020. PMID: 32543855

7

Wax Formation in Linear and Branched Alkanes with Dissipative Particle Dynamics.

Bray DJ, Anderson RL, Warren PB, Lewtas K. Bray DJ, et al. J Chem Theory Comput. 2020 Nov 10;16(11):7109-7122. doi: 10.1021/acs.jctc.0c00605. Epub 2020 Oct 8. J Chem Theory Comput. 2020. PMID: 32857939

8

The Role of Chemical Heterogeneity in Surfactant Adsorption at Solid-Liquid Interfaces.

Klebes J, Finnigan S, Bray DJ, Anderson RL, Swope WC, Johnston MA, Conchuir BO. Klebes J, et al. Among authors: bray dj. J Chem Theory Comput. 2020 Nov 10;16(11):7135-7147. doi: 10.1021/acs.jctc.0c00759. Epub 2020 Oct 21. J Chem Theory Comput. 2020. PMID: 33081471

9

Critical Micelle Concentrations in Surfactant Mixtures and Blends by Simulation.

Del Regno A, Warren PB, Bray DJ, Anderson RL. Del Regno A, et al. Among authors: bray dj. J Phys Chem B. 2021 Jun 10;125(22):5983-5990. doi: 10.1021/acs.jpcb.1c00893. Epub 2021 May 27. J Phys Chem B. 2021. PMID: 34043913 Free article.

10

Modeling Alkyl Aromatic Hydrocarbons with Dissipative Particle Dynamics.

Bray DJ, Anderson RL, Warren PB, Lewtas K. Bray DJ, et al. J Phys Chem B. 2022 Jul 21;126(28):5351-5361. doi: 10.1021/acs.jpcb.2c02048. Epub 2022 Jul 7. J Phys Chem B. 2022. PMID: 35797469 Free PMC article.

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