Predictive molecular thermodynamic models for liquid solvents, solid salts, polymers, and ionic liquids
Z Lei, B Chen, C Li, H Liu - Chemical reviews, 2008 - ACS Publications
Generally, molecular thermodynamic models for treating the phase equilibria of solutions
can be classified into two categories: activity coefficient relations and equations of state. The …
can be classified into two categories: activity coefficient relations and equations of state. The …
Thermodynamic modeling and experimental data reveal that sugars stabilize proteins according to an excluded volume mechanism
We present a new thermodynamic model to investigate the relative effects of excluded
volume and soft interaction contributions in determining whether a cosolute will either …
volume and soft interaction contributions in determining whether a cosolute will either …
A unified electrostatic and cavitation model for first-principles molecular dynamics in solution
The electrostatic continuum solvent model developed by [Fattebert and Gygi J. Comput.
Chem. 23, 662 (2002); Int. J. Quantum Chem. 93, 139 (2003)] is combined with a first …
Chem. 23, 662 (2002); Int. J. Quantum Chem. 93, 139 (2003)] is combined with a first …
Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory
The first paper of this series [J. Chem. Phys. 158, 034103 (2023)] demonstrated that excess
entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems …
entropy scaling holds for both fine-grained and corresponding coarse-grained (CG) systems …
A concise course on the theory of classical liquids
A Santos - Lecture Notes in Physics, 2016 - Springer
There exist in the market many excellent textbooks covering equilibrium statistical
mechanics of liquids and dense gases. Why, then, yet another addition to the shelf? Is there …
mechanics of liquids and dense gases. Why, then, yet another addition to the shelf? Is there …
Scaled particle theory for bulk and confined fluids: A review
W Dong, XS Chen - Science China Physics, Mechanics & Astronomy, 2018 - Springer
More than half a century after its first formulation by Reiss, Frisch and Lebowitz in 1959,
scaled particle theory (SPT) has proven its immense usefulness and has become one of the …
scaled particle theory (SPT) has proven its immense usefulness and has become one of the …
Entropic tension in crowded membranes
Unlike their model membrane counterparts, biological membranes are richly decorated with
a heterogeneous assembly of membrane proteins. These proteins are so tightly packed that …
a heterogeneous assembly of membrane proteins. These proteins are so tightly packed that …
Isotope effects observed in diluted D2O/H2O mixtures identify HOD-induced low-density structures in D2O but not H2O
A Stefaniuk, S Gawinkowski, B Golec, A Gorski… - Scientific Reports, 2022 - nature.com
Normal and heavy water are solvents most commonly used to study the isotope effect. The
isotope effect of a solvent significantly influences the behavior of a single molecule in a …
isotope effect of a solvent significantly influences the behavior of a single molecule in a …
Pressure unfolding of proteins: New insights into the role of bound water
A Arsiccio, JE Shea - The Journal of Physical Chemistry B, 2021 - ACS Publications
High pressures can be detrimental for protein stability, resulting in unfolding and loss of
function. This phenomenon occurs because the unfolding transition is accompanied by a …
function. This phenomenon occurs because the unfolding transition is accompanied by a …
Molecular packing of amphipathic peptides on the surface of lipid membranes
C Aisenbrey, B Bechinger - Langmuir, 2014 - ACS Publications
When polypeptides bind to the membrane surface, they become confined to a restricted
quasi-two-dimensional space where peptide–peptide interactions become highly relevant …
quasi-two-dimensional space where peptide–peptide interactions become highly relevant …