Outputs (3)

QSym²: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure (2023)
Journal Article
Huynh, B., Wibowo-Teale, M., & Wibowo-Teale, A. (2024). QSym²: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure. Journal of Chemical Theory and Computation, 20(1), 114-133. https://doi.org/10.1021/acs.jctc.3c01118

Symmetry provides a powerful machinery to classify, interpret, and understand quantum-mechanical theories and results. However, most contemporary quantum chemistry packages lack the ability to handle degeneracy and symmetry breaking effects, especial... Read More about QSym²: A Quantum Symbolic Symmetry Analysis Program for Electronic Structure.

Odd–even disparity in the population of slipped hairpins in RNA repeat sequences with implications for phase separation (2023)
Journal Article
Maity, H., Nguyen, H. T., Hori, N., & Thirumalai, D. (2023). Odd–even disparity in the population of slipped hairpins in RNA repeat sequences with implications for phase separation. Proceedings of the National Academy of Sciences, 120(24), Article e2301409120. https://doi.org/10.1073/pnas.2301409120

Low-complexity nucleotide repeat sequences, which are implicated in several neurological disorders, undergo liquid–liquid phase separation (LLPS) provided the number of repeat units, n, exceeds a critical value. Here, we establish a link between the... Read More about Odd–even disparity in the population of slipped hairpins in RNA repeat sequences with implications for phase separation.

Shape changes and cooperativity in the folding of central domain of the 16S ribosomal RNA (2021)
Journal Article
Hori, N., Denesyuk, N. A., & Thirumalai, D. (2021). Shape changes and cooperativity in the folding of central domain of the 16S ribosomal RNA. Proceedings of the National Academy of Sciences, 118(10), Article e2020837118. https://doi.org/10.1073/pnas.2020837118

Both the small and large subunits of the ribosome, the molecular machine that synthesizes proteins, are complexes of ribosomal RNAs (rRNAs) and a number of proteins. In bacteria, the small subunit has a single 16S rRNA whose folding is the first step... Read More about Shape changes and cooperativity in the folding of central domain of the 16S ribosomal RNA.