Computational pharmaceutics-A new paradigm of drug delivery
In recent decades pharmaceutics and drug delivery have become increasingly critical in the
pharmaceutical industry due to longer time, higher cost, and less productivity of new …
pharmaceutical industry due to longer time, higher cost, and less productivity of new …
Perturbations of native membrane protein structure in alkyl phosphocholine detergents: a critical assessment of NMR and biophysical studies
Membrane proteins perform a host of vital cellular functions. Deciphering the molecular
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …
High molecular weight hyper-branched PCL-based thermogelling vitreous endotamponades
Vitreous endotamponades play essential roles in facilitating retina recovery following
vitreoretinal surgery, yet existing clinically standards are suboptimal as they can cause …
vitreoretinal surgery, yet existing clinically standards are suboptimal as they can cause …
Versatility of reverse micelles: From biomimetic models to nano (bio) sensor design
This paper presents an overview of the principal structural and dynamics characteristics of
reverse micelles (RMs) in order to highlight their structural flexibility and versatility, along …
reverse micelles (RMs) in order to highlight their structural flexibility and versatility, along …
Inhibition of microbial deconjugation of micellar bile acids protects against intestinal permeability and liver injury
Altered host-microbe interactions and increased intestinal permeability have been
implicated in disease pathogenesis. However, the mechanisms by which intestinal microbes …
implicated in disease pathogenesis. However, the mechanisms by which intestinal microbes …
Self-assembly and viscosity changes of binary surfactant solutions: A molecular dynamics study
J Zhou, PG Ranjith - Journal of Colloid and Interface Science, 2021 - Elsevier
Hypothesis: Structure and self-assembly of surfactants in the solution shows a fundamental
influence on its viscosity. Through molecular simulations using Martini force field, synergistic …
influence on its viscosity. Through molecular simulations using Martini force field, synergistic …
Estimation and prediction of the air–water interfacial tension in conventional and peptide surface-active agents by random Forest regression
The surface tension at the critical micelle concentration (ST CMC) is an important descriptor
for surfactants in applications including cosmetics, pharmaceuticals and food. A predictive …
for surfactants in applications including cosmetics, pharmaceuticals and food. A predictive …
Hofmeister effects of anions on self-assembled thermogels
Thermogels are temperature-responsive soft biomaterials with numerous biomedical
applications. They possess high water content and can spontaneously gelate by forming …
applications. They possess high water content and can spontaneously gelate by forming …
[HTML][HTML] Characterisation of the apparent aqueous solubility enhancement of testosterone analogues in micelles of dodecyl-chained surfactants with different …
The solubilisation capacities of the micelles formed by a range of surfactants possessing a
dodecyl (C 12) hydrocarbon 'tail'and a variety of hydrophilic 'headgroups' have been studied …
dodecyl (C 12) hydrocarbon 'tail'and a variety of hydrophilic 'headgroups' have been studied …
Self-assembly and structures of nanoscale double emulsion droplets through coarse-grained molecular dynamics simulations
Q Chen, J Zheng - Soft Matter, 2023 - pubs.rsc.org
Examples of self-assembled multiple emulsion droplets on the nanometre scale are very
rare. In this work, we use coarse-grained (CG) molecular dynamics simulations to study the …
rare. In this work, we use coarse-grained (CG) molecular dynamics simulations to study the …