[HTML][HTML] Multiscale modelling of chromatin organisation: resolving nucleosomes at near-atomistic resolution inside genes
The three-dimensional organisation of the genome modulates biological processes and is,
in turn, transformed by the activity in the nucleus. Not surprisingly, understanding how the …
in turn, transformed by the activity in the nucleus. Not surprisingly, understanding how the …
Multiscale simulations of DNA from electrons to nucleosomes
JH Maddocks, PD Dans, TH Cheatham III, S Harris… - Biophysical …, 2024 - Springer
Abstract This editorial for Volume 16, Issue 3 of Biophysical Reviews highlights the three-
dimensional structural and dynamic information encoded in DNA sequences and introduces …
dimensional structural and dynamic information encoded in DNA sequences and introduces …
MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution
The linear sequence of DNA provides invaluable information about genes and their
regulatory elements along chromosomes. However, to fully understand gene function and …
regulatory elements along chromosomes. However, to fully understand gene function and …
[HTML][HTML] cgNA+ web: A visual interface to the cgNA+ sequence-dependent statistical mechanics model of double-stranded nucleic acids
R Sharma, AS Patelli, L De Bruin… - Journal Of Molecular …, 2023 - Elsevier
The sequence-dependent statistical mechanics of double-stranded nucleic acid, or dsNA, is
believed to be essential in its biological functions. In turn, the equilibrium statistical …
believed to be essential in its biological functions. In turn, the equilibrium statistical …
Sequence-dependent properties of the RNA duplex
F Battistini, A Sala, A Hospital… - Journal of Chemical …, 2023 - ACS Publications
Sequence-dependent properties of the DNA duplex have been accurately described using
extensive molecular dynamics simulations. The RNA duplex meanwhile─ which is typically …
extensive molecular dynamics simulations. The RNA duplex meanwhile─ which is typically …
How acidic amino acid residues facilitate DNA target site selection
KA Hossain, M Kogut, J Słabońska… - Proceedings of the …, 2023 - National Acad Sciences
Despite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly
participate in the base readout, with a strong preference for cytosine. In fact, in the solved …
participate in the base readout, with a strong preference for cytosine. In fact, in the solved …
BioExcel Building Blocks Workflows (BioBB-Wfs), an integrated web-based platform for biomolecular simulations
Abstract We present BioExcel Building Blocks Workflows, a web-based graphical user
interface (GUI) offering access to a collection of transversal pre-configured biomolecular …
interface (GUI) offering access to a collection of transversal pre-configured biomolecular …
CGeNArate: a sequence-dependent coarse-grained model of DNA for accurate atomistic MD simulations of kb-long duplexes
D Farré-Gil, JP Arcon, CA Laughton… - Nucleic Acids …, 2024 - academic.oup.com
We present CGeNArate, a new model for molecular dynamics simulations of very long
segments of B-DNA in the context of biotechnological or chromatin studies. The developed …
segments of B-DNA in the context of biotechnological or chromatin studies. The developed …
Sequence-specific structural features and solvation properties of transcription factor binding DNA motifs: insights from molecular dynamics simulation
P Patra, YQ Gao - The Journal of Physical Chemistry B, 2022 - ACS Publications
Sequence-specific recognition of transcription factor (TF) binding motifs in the target site of
DNA over the vast amount of non-target DNA is of primary importance for the transcriptional …
DNA over the vast amount of non-target DNA is of primary importance for the transcriptional …
The impact of sequence periodicity on DNA mechanics: investigating the origin of A-tract's curvature
T Gardasevic, A Noy - Nanoscale, 2024 - pubs.rsc.org
Periodic sequences in phase with DNA helical shape are prevalent in genomes due to their
capacity to modulate DNA elasticity on a global scale. However, how this occurs is not well …
capacity to modulate DNA elasticity on a global scale. However, how this occurs is not well …