Stabilizing effect of TMAO on globular PNIPAM states: preferential attraction induces preferential hydration
MA Schroer, J Michalowsky, B Fischer… - Physical Chemistry …, 2016 - pubs.rsc.org
We study the effect of the organic co-solute trimethylamine N-oxide (TMAO) on the volume
phase transition of microgel particles made from poly (N-isopropylacrylamide)(PNIPAM) …
phase transition of microgel particles made from poly (N-isopropylacrylamide)(PNIPAM) …
Osmolyte effects: impact on the aqueous solution around charged and neutral spheres
J Smiatek - The Journal of Physical Chemistry B, 2014 - ACS Publications
We have performed atomistic molecular dynamics simulations to study the solvation
characteristics of model spheres for low concentrations of urea and hydroxyectoine in …
characteristics of model spheres for low concentrations of urea and hydroxyectoine in …
Aqueous mixtures of urea and trimethylamine-N-oxide: Evidence for kosmotropic or chaotropic behavior?
EA Oprzeska-Zingrebe, J Smiatek - The Journal of Physical …, 2019 - ACS Publications
Trimethylamine-N-oxide (TMAO) and urea are commonly produced in many extremophilic
microorganisms that live in harsh environments. In view of high temperature, high pressure …
microorganisms that live in harsh environments. In view of high temperature, high pressure …
Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
Osmolytes are a class of small organic molecules that shift the protein folding equilibrium.
For this reason, they are accumulated by organisms under environmental stress and find …
For this reason, they are accumulated by organisms under environmental stress and find …
Microsecond molecular dynamics simulations of proteins using a quasi-equilibrium solvation shell model
V Ovchinnikov, S Conti, EY Lau… - Journal of Chemical …, 2020 - ACS Publications
We describe the development and implementation of a quasi-equilibrium hydration shell
model of biomolecular solvation with adaptive boundaries. Applying the model to …
model of biomolecular solvation with adaptive boundaries. Applying the model to …
[引用][C] Molecular dynamics simulations for the study of interaction between non-canonical DNA structures and biochemically relevant co-solutes
EA Oprzeska-Zingrebe - 2023