Publications by authors named "Arthi Jayaraman"

42Publications

Combining simulations and experiments for the molecular engineering of multifunctional collagen mimetic peptide-based materials.

Soft Matter 2021 Jan 12. Epub 2021 Jan 12.

Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE 19716, USA. and Department of Materials Science and Engineering, University of Delaware, Newark, DE 19716, USA.

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January 2021

Development of Coarse-Grained Models for Poly(4-vinylphenol) and Poly(2-vinylpyridine): Polymer Chemistries with Hydrogen Bonding.

Polymers (Basel) 2020 Nov 23;12(11). Epub 2020 Nov 23.

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware, 150 Academy Street, Newark, DE 19716, USA.

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November 2020

Molecular Modeling and Simulations of Peptide-Polymer Conjugates.

Annu Rev Chem Biomol Eng 2020 06;11:257-276

Department of Chemical and Biomolecular Engineering, University of Delaware, Newark, Delaware 19716, USA; email:

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June 2020

Development of a New Coarse-Grained Model to Simulate Assembly of Cellulose Chains Due to Hydrogen Bonding.

J Chem Theory Comput 2020 Jul 2;16(7):4599-4614. Epub 2020 Jun 2.

Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy St., Newark, Delaware 19716, United States.

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July 2020

Self-Assembly of Allomelanin Dimers and the Impact of Poly(ethylene glycol) on the Assembly: A Molecular Dynamics Simulation Study.

J Phys Chem B 2020 04 24;124(13):2702-2714. Epub 2020 Mar 24.

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware, 150 Academy Street, Newark, Delaware 19716, United States.

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April 2020

Self-assembly of amphiphilic polymers of varying architectures near attractive surfaces.

Soft Matter 2020 Jan;16(3):623-633

Colburn Laboratory, Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Newark, DE 19716, USA.

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January 2020

ssDNA-amphiphile architecture used to control dimensions of DNA nanotubes.

Nanoscale 2019 Nov 27;11(42):19850-19861. Epub 2019 Sep 27.

Institute for NanoBioTechnology, Johns Hopkins University, Baltimore, MD 21218, USA. and Department of Chemical and Biomolecular Engineering, Johns Hopkins University, Baltimore, MD 21218, USA.

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November 2019

Computational Reverse-Engineering Analysis for Scattering Experiments on Amphiphilic Block Polymer Solutions.

J Am Chem Soc 2019 09 9;141(37):14916-14930. Epub 2019 Sep 9.

Department of Chemical and Biomolecular Engineering , University of Delaware , 150 Academy Street, Colburn Laboratory , Newark , Delaware 19716 , United States.

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September 2019

Coarse-grained molecular dynamics simulations of α-1,3-glucan.

Soft Matter 2019 Jun;15(23):4669-4681

Dept. of Chemical and Biomolecular Engineering, University of Delaware, Newark, DE 19716, USA.

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June 2019

Molecular dynamics simulation study of linear, bottlebrush, and star-like amphiphilic block polymer assembly in solution.

Soft Matter 2019 May;15(19):3987-3998

Colburn Laboratory, Department of Chemical and Biomolecular Engineering, University of Delaware, 150 Academy Street, Newark, DE 19716, USA.

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May 2019

Experiments and Simulations of Complex Sugar-Based Coil-Brush Block Polymer Nanoassemblies in Aqueous Solution.

ACS Nano 2019 05 16;13(5):5147-5162. Epub 2019 Apr 16.

Departments of Chemistry, Chemical Engineering, Materials Science & Engineering, and the Laboratory for Synthetic-Biologic Interactions , Texas A&M University , College Station , Texas 77843 , United States.

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May 2019

Development of a Coarse-Grained Model of Collagen-Like Peptide (CLP) for Studies of CLP Triple Helix Melting.

J Phys Chem B 2018 02 7;122(6):1929-1939. Epub 2018 Feb 7.

Colburn Laboratory, Department of Chemical and Biomolecular Engineering, University of Delaware , 150 Academy Street, Newark Delaware 19716, United States.

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February 2018

pyPRISM: A Computational Tool for Liquid-State Theory Calculations of Macromolecular Materials.

Macromolecules 2018 ;51(8)

Department of Chemical and Biomolecular Engineering, 150 Academy Street, Colburn Laboratory, University of Delaware, Newark DE.

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January 2018

Macromolecular 'size' and 'hardness' drives structure in solvent-swollen blends of linear, cyclic, and star polymers.

Soft Matter 2018 Jan;14(3):411-423

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware, 150 Academy Street, Newark, DE 19716, USA.

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January 2018

Effect of oligonucleic acid (ONA) backbone features on assembly of ONA-star polymer conjugates: a coarse-grained molecular simulation study.

Soft Matter 2017 Oct;13(38):6770-6783

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware, 150 Academy Street, Newark, DE 19716, USA.

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October 2017

Effect of conjugation on phase transitions in thermoresponsive polymers: an atomistic and coarse-grained simulation study.

Soft Matter 2017 Apr;13(16):2907-2918

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware, 150 Academy Street, Newark, DE 19711, USA.

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April 2017

Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria.

J Chem Theory Comput 2016 Nov 21;12(11):5501-5510. Epub 2016 Oct 21.

Department of Chemical and Biomolecular Engineering, University of Delaware , 150 Academy Street, Newark Delaware 19716, United States.

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November 2016

Effects of Polymer Conjugation on Hybridization Thermodynamics of Oligonucleic Acids.

J Phys Chem B 2016 09 6;120(36):9788-99. Epub 2016 Sep 6.

Department of Chemical and Biomolecular Engineering, Colburn Laboratory, University of Delaware , 150 Academy Street, Newark, Delaware 19711, United States.

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September 2016