Molecular dynamics (MD) simulations have led to great advances in many scientific
disciplines, such as chemical physics, materials science, and biophysics. This computational …

Molecular simulation has been widely used to study microbial proteins' structural
composition and dynamic properties, such as volatility, flexibility, and stability at the …

This research paper delves into developing and analyzing advanced composite
ultrafiltration (UF) membranes specifically tailored for water treatment and dye removal …

Hoechst 33342 (H33342) is a fluorescent probe that is commonly used to stain the DNA of
living cells. To do so, it needs to interact with and permeate through cell membranes, despite …

Nanofiltration (NF) has garnered significant attention for removing persistent dyes from
industrial wastewater. However, limited membrane separation efficiency and performance …

The transmembrane potential of plasma membranes and membrane-bound organelles
plays a fundamental role in cellular functions such as signal transduction, ATP synthesis …

Contrast agents are important imaging probes in clinical MRI, allowing the identification of
anatomic changes that otherwise would not be possible. Intensive research on the …

CPPs, or Cell-Penetrating Peptides, offer invaluable utility in disease treatment due to their
ability to transport various therapeutic molecules across cellular membranes. Their unique …

Cardiovascular disease (CVD) is a disease that causes death in the world. Behavioral risk
factors are crucial in dealing with CVD disease. High levels of cholesterol in the blood are …

The membrane dipole potential that arises from the interfacial water and constitutive dipolar
groups of lipid molecules modulates the interaction of amphiphiles and proteins with …