Water dynamics in the hydration shells of biomolecules
The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …
Water as an active constituent in cell biology
P Ball - Chemical reviews, 2008 - ACS Publications
When Szent-Györgyi called water the “matrix of life”, 1 he was echoing an old sentiment.
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …
[HTML][HTML] A suite of tutorials for the WESTPA rare-events sampling software [Article v1. 0]
The weighted ensemble (WE) strategy has been demonstrated to be highly efficient in
generating pathways and rate constants for rare events such as protein folding and protein …
generating pathways and rate constants for rare events such as protein folding and protein …
Surface-enhanced Raman spectroscopy of DNA
We report a method for obtaining highly reproducible surface-enhanced Raman
spectroscopy (SERS) of single and double-stranded thiolated DNA oligomers. Following a …
spectroscopy (SERS) of single and double-stranded thiolated DNA oligomers. Following a …
Ions and RNA folding
DE Draper, D Grilley, AM Soto - Annu. Rev. Biophys. Biomol …, 2005 - annualreviews.org
▪ Abstract The problem of how ions influence the folding of RNA into specific tertiary
structures is being addressed from both thermodynamic (by how much do different salts …
structures is being addressed from both thermodynamic (by how much do different salts …
Roles of non-canonical structures of nucleic acids in cancer and neurodegenerative diseases
H Tateishi-Karimata, N Sugimoto - Nucleic Acids Research, 2021 - academic.oup.com
Cancer and neurodegenerative diseases are caused by genetic and environmental factors.
Expression of tumour suppressor genes is suppressed by mutations or epigenetic silencing …
Expression of tumour suppressor genes is suppressed by mutations or epigenetic silencing …
Use of ionic liquids in protein and DNA chemistry
SK Shukla, JP Mikkola - Frontiers in Chemistry, 2020 - frontiersin.org
Ionic liquids (ILs) have been receiving much attention as solvents in various areas of
biochemistry because of their various beneficial properties over the volatile solvents and ILs …
biochemistry because of their various beneficial properties over the volatile solvents and ILs …
Molecular dynamics simulations of nucleic acids with a generalized Born solvation model
V Tsui, DA Case - Journal of the American Chemical Society, 2000 - ACS Publications
A generalized Born (GB) model has been applied to molecular dynamics simulations of the
A-and B-forms of a duplex DNA d (CCAACGTTGG) 2 and the corresponding duplex RNA r …
A-and B-forms of a duplex DNA d (CCAACGTTGG) 2 and the corresponding duplex RNA r …
Solvation and hydration of proteins and nucleic acids: a theoretical view of simulation and experiment
Many theoretical, computational, and experimental techniques recently have been
successfully used for description of the solvent distribution around macromolecules. In this …
successfully used for description of the solvent distribution around macromolecules. In this …
Molecular dynamics simulation of nucleic acids: successes, limitations, and promise
In the last five years we have witnessed a significant increase in the number publications
describing accurate and reliable all‐atom molecular dynamics simulations of nucleic acids …
describing accurate and reliable all‐atom molecular dynamics simulations of nucleic acids …