Thomas Oweida

College of Engineering

Works (3)

Updated: September 19th, 2023 05:01

2023 article

Resolving Structure of ssDNA in Solution by Fusing Molecular Simulations and Scattering Experiments with Machine Learning

Oweida, T. J., & Yingling, Y. G. (2023, September 7). Advanced Theory and Simulations, Vol. 9.

By: T. Oweida n & Y. Yingling n 

author keywords: flexible molecular structure determination; genetic algorithm; molecular dynamics simulations; SAXS; ssDNA
topics (OpenAlex): DNA and Nucleic Acid Chemistry; Protein Structure and Dynamics; Enzyme Structure and Function
TL;DR: The results are able to determine the most accurate atomistic representation of poly‐Thymine (polyT) in solution to date that closely matches the experimental SAXS observations enabling a better understanding of the behavior of ssDNA in solution. (via Semantic Scholar)
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Sources: Web Of Science, NC State University Libraries, ORCID
Added: September 18, 2023

2022 article

Mapping the Morphological Landscape of Oligomeric Di‐block Peptide–Polymer Amphiphiles**

Allen, B. P., Wright, Z. M., Taylor, H. F., Oweida, T. J., Kader‐Pinky, S., Patteson, E. F., … Knight, A. S. (2022, January 17). Angewandte Chemie International Edition, Vol. 1.

By: B. Allen *, Z. Wright *, H. Taylor *, T. Oweida n, S. Kader‐Pinky n, E. Patteson*, K. Bucci*, C. Cox* ...

author keywords: Biomimetic; Electron Microscopy; Peptide-Polymer Amphiphile; Self-Assembly; Supramolecular Chemistry
MeSH headings : Biomimetics; Hydrophobic and Hydrophilic Interactions; Particle Size; Peptides / chemistry; Polymers / chemistry
topics (OpenAlex): Supramolecular Self-Assembly in Materials; Advanced Polymer Synthesis and Characterization; Polydiacetylene-based materials and applications
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: January 27, 2022

2021 article

Assessment of AMBER Force Fields for Simulations of ssDNA

Oweida, T. J., Kim, H. S., Donald, J. M., Singh, A., & Yingling, Y. G. (2021, January 12). Journal of Chemical Theory and Computation, Vol. 17, pp. 1208–1217.

By: T. Oweida n, H. Kim n, J. Donald n, A. Singh n & Y. Yingling n 

MeSH headings : DNA, Single-Stranded / chemistry; Fluorescence Resonance Energy Transfer; Models, Chemical; Nuclear Magnetic Resonance, Biomolecular / methods; Nucleic Acid Conformation; Scattering, Small Angle; X-Ray Diffraction
topics (OpenAlex): DNA and Nucleic Acid Chemistry; Advanced biosensing and bioanalysis techniques; RNA Interference and Gene Delivery
TL;DR: Assessment of existing Amber force fields for all-atom simulations of ssDNA in implicit and explicit solvents finds that some force fields agree better with experiments than others mainly due to the difference in parameterization of the propensity for hydrogen bonding and base stacking. (via Semantic Scholar)
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: January 15, 2021

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