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.
author keywords: flexible molecular structure determination; genetic algorithm; molecular dynamics simulations; SAXS; ssDNA
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)
open access via doi.org (publisher)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
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 27). ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, Vol. 1.
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
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: January 27, 2022
2021 journal article
Assessment of AMBER Force Fields for Simulations of ssDNA
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(2), 1208–1217.
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
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)
UN Sustainable Development Goal Categories
3. Good Health and Well-being
(Web of Science)
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: January 15, 2021
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