Soft matter with diverse functionalities that are easily designable has fascinated tremendous
research interests in the past several decades. Nevertheless, the inherent confluence of time …

Cell membranes are incredibly complex environments containing hundreds of components.
Despite substantial advances in the past decade, fundamental questions related to lipid-lipid …

G protein-coupled receptors (GPCR) are responsible for modulating various physiological
functions and are thus related to the pathophysiology of different diseases. Being potential …

A novel formulation of cationic liposomes was studied by mixing
dipalmitoylphosphatidylcholine (DPPC) with tetradecyltrimethylammonium bromide gemini …

Lipid membranes are vital in a wide range of biological and biotechnical systems; they
undepin functions from modulation of protein activity to drug uptake and delivery …

Double-stranded DNA (dsDNA) has been established as an efficient medium for charge
migration, bringing it to the forefront of the field of molecular electronics and biological …

A new mixed radial-angular, three-particle correlation function method in combination with
unsupervised machine learning was applied to examine the emergence of the ripple phase …

Accurate estimation of phase transition temperatures has been a longstanding challenge for
molecular simulations. Recently, the generalized Replica Exchange technique for estimating …

Atomistic molecular dynamics simulations have reached a degree of maturity that makes it
possible to investigate the lipid polymorphism of model bilayers over a wide range of …

The relation between chemical sequences and the properties of polymers is considered
using artificial neural networks with a low-dimensional bottleneck layer of neurons. These …