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6 results in Keywords: coarse-grained modeling

Theoretical and Computational Chemistry

Modeling the Interplay of Conformational and Electronic Structure in Conjugated Polyelectrolytes

David Friday, Nicholas Jackson

Version 1 posted 03 January 2022

311

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Theoretical and Computational Chemistry

a coarse-grained molecular dynamics description of docetaxel-conjugate release from plga matrices

Martina Pannuzzo, Alessia Felici, Paolo Decuzzi

Version 1 posted 19 July 2022

182

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Theoretical and Computational Chemistry

Folding Coarse-Grained Oligomer Models with PyRosetta

Theodore L. Fobe, Christopher C. Walker, Garrett A. Meek, Michael R. Shirts

Version 2 posted 19 May 2022

457

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Theoretical and Computational Chemistry

Using a Coarse-Grained Modeling Framework to Identify Oligomeric Motifs with Tunable Secondary Structure

Christopher Walker, Garrett Meek, Theodore Fobe, Michael R. Shirts

Version 1 posted 28 May 2021

233

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Theoretical and Computational Chemistry

S273 phosphorylation restricts PPARy structural dynamics - a multiscale modeling view on the mechanisms of obesity metabolism

Marieli Mariano Gonçalves Dias, Cristina Gil Herrero, Ana Carolina Migliorini Figueira, Sebastian Thallmair

Version 1 posted 23 October 2024

68

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Physical Chemistry

Controlling Electrostatics to Enhance Conductivity in Structured Electrolytes

Logan Hennes, Chloe Behringer, Mohsen Farshad, Jennifer L. Schaefer, Jonathan K. Whitmer

Version 1 posted 07 October 2024

95

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