Water dynamics in the hydration shells of biomolecules

D Laage, T Elsaesser, JT Hynes - Chemical Reviews, 2017 - ACS Publications
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 …

Nitrile groups as vibrational probes of biomolecular structure and dynamics: an overview

BA Lindquist, KE Furse, SA Corcelli - Physical chemistry chemical …, 2009 - pubs.rsc.org
This paper presents an overview of recent experiments and theoretical developments aimed
at using vibrational spectroscopy to understand the structure and dynamics of nitrile-labeled …

[图书][B] Polymer-solvent molecular compounds

JM Guenet - 2010 - books.google.com
Crystallisable polymers represent a large share of the polymers used for manufacturing a
wide variety of objects, and consequently have received continuous attention from scientists …

Same fold, different properties: polarizable molecular dynamics simulations of telomeric and TERRA G-quadruplexes

JA Lemkul - Nucleic Acids Research, 2020 - academic.oup.com
DNA and RNA sequences rich in guanine can fold into noncanonical structures called G-
quadruplexes (GQs), which exhibit a common stem structure of Hoogsteen hydrogen …

Entropy of water in the hydration layer of major and minor grooves of DNA

B Jana, S Pal, PK Maiti, ST Lin, JT Hynes… - The Journal of …, 2006 - ACS Publications
Transport properties (translational and rotational) of water in the two grooves of the B-DNA
duplex are known to be different from those in the bulk. Here, we use a recently developed …

Multiple time scales in solvation dynamics of DNA in aqueous solution: the role of water, counterions, and cross-correlations

S Pal, PK Maiti, B Bagchi, JT Hynes - The Journal of Physical …, 2006 - ACS Publications
Recent time domain experiments have explored solvation dynamics of a probe located
inside a DNA duplex, in an effort to gain information, eg, on the dynamics of water molecules …

[图书][B] Water: molecular structure and properties

XF Pang - 2014 - books.google.com
This book provides a broad and complete introductions to the molecular structure, novel and
anomalous properties, nonlinear excitations, soliton motions, magnetization, and biological …

Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

R Biswas, B Bagchi - Journal of Physics: Condensed Matter, 2017 - iopscience.iop.org
In nature, water is often found in contact with surfaces that are extended on the scale of
molecule size but small on a macroscopic scale. Examples include lipid bilayers and …

Molecular dynamics simulation study of water in amorphous kapton

G Marque, S Neyertz, J Verdu, V Prunier… - Macromolecules, 2008 - ACS Publications
Molecular dynamics (MD) simulations of more than 40 model systems of dry and hydrated
poly (pyromellitimide-1, 4-diphenyl ether)(PMDA-ODA) polyimide, also known as Kapton …

Strongly anisotropic orientational relaxation of water molecules in narrow carbon nanotubes and nanorings

B Mukherjee, PK Maiti, C Dasgupta, AK Sood - Acs Nano, 2008 - ACS Publications
Molecular dynamics simulations of the orientational dynamics of water molecules confined
in narrow carbon nanotubes and nanorings reveal that confinement leads to strong …