[HTML][HTML] Role of Shape Deformation of DNA-Binding Sites in Regulating the Efficiency and Specificity in Their Recognition by DNA-Binding Proteins

SK Mishra, A Bhattacherjee - JACS Au, 2024 - pmc.ncbi.nlm.nih.gov
Accurate transcription of genetic information is crucial, involving precise recognition of the
binding motifs by DNA-binding proteins. While some proteins rely on short-range …

Stacking correlation length in single-stranded DNA

X Viader-Godoy, M Manosas, F Ritort - Nucleic Acids Research, 2024 - academic.oup.com
Base stacking is crucial in nucleic acid stabilization, from DNA duplex hybridization to single-
stranded DNA (ssDNA) protein binding. While stacking energies are tiny in ssDNA, they are …

Role of Shape Deformation of DNA-Binding Sites in Regulating the Efficiency and Specificity in Their Recognition by DNA-Binding Proteins

Sangeeta, SK Mishra, A Bhattacherjee - JACS Au, 2024 - ACS Publications
Accurate transcription of genetic information is crucial, involving precise recognition of the
binding motifs by DNA-binding proteins. While some proteins rely on short-range …

Insights into elastic properties of coarse-grained DNA models: q-stiffness of cgDNA vs cgDNA+

W Laeremans, M Segers, A Voorspoels… - The Journal of …, 2024 - pubs.aip.org
Coarse-grained models have emerged as valuable tools to simulate long DNA molecules
while maintaining computational efficiency. These models aim at preserving interactions …

Mechanical response of double-stranded DNA: Bend, twist, and overwind

X Mou, K Liu, L He, S Li - The Journal of Chemical Physics, 2024 - pubs.aip.org
We employed all-atom molecular dynamics simulations to explore the mechanical response
of bending, twisting, and overwinding for double-stranded DNA (dsDNA). We analyzed the …

Designing complex behaviours using signal-passing allosteric self-assembly

J Metson - arXiv preprint arXiv:2410.17807, 2024 - arxiv.org
Allosteric effects, where interactions at one part of a complex affect interactions at another
part, offer a high degree of control in multi-species processes. These interactions play a …

Systematic Coarse-Graining of Sequence-Dependent Structure and Elasticity of Double-Stranded DNA

E Skoruppa, H Schiessel - arXiv preprint arXiv:2409.05510, 2024 - arxiv.org
Coarse-grained models have played an important role in the study of the behavior of DNA at
length scales beyond a few hundred base pairs. Traditionally, these models have relied on …