Biological membranes are fundamental components of living organisms that play an
undeniable role in their survival. Molecular dynamics (MD) serves as an essential …

Parathyroid hormone (PTH) and PTH-related peptide (PTHrP) are two endogenous
hormones recognized by PTH receptor-1 (PTH1R), a member of class BG protein-coupled …

We studied diverse prenylated intrinsically disordered regions (PIDRs) of Ras and Rho
family small GTPases using long timescale atomistic molecular dynamics simulations in an …

Lateral organization of lipids in the cell membrane appears to be an ancient feature of the
cell, given the existence of lipid rafts in both eukaryotic and prokaryotic cells. Currently seen …

The interactions between proteins and membranes play critical roles in signal transduction,
cell motility, and transport, and they are involved in many types of diseases. Molecular …

In the recent years, the improvement of software and hardware performance has made
biomolecular simulations a mature tool for the study of biological processes. Simulation …

Plasmodium parasites are obligate intracellular protozoa and causative agents of malaria,
responsible for half a million deaths each year. The lifecycle progression of the parasite is …

Plant lipid transfer proteins are a large family that can be found in all land plants. They have
a hydrophobic cavity that allows them to harbor lipids and facilitates their traffic between …

Bilayers of mycolic acids (MAs) form the outer membrane of Mycobacterium tuberculosis that
has high strength and extremely low permeability for external molecules (including …

Antimicrobial peptides (AMPs) have the ability to penetrate as well as transport cargo across
bacterial cell membranes, and they have been labeled as exceptional candidates to function …