Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Many thousands of lipid species exist and their metabolism is interwoven via numerous
pathways and networks. These networks can also change in response to cellular …

Proper treatment of nonbonded interactions is essential for the accuracy of molecular
dynamics (MD) simulations, especially in studies of lipid mono-and bilayers. The use of the …

Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Understanding interactions between nanoparticles (NPs) with biological matter, particularly
cells, is becoming increasingly important due to their growing application in medicine and …

Molecular permeation through lipid membranes is a fundamental biological process that is
important for small neutral molecules and drug molecules. Precise characterization of free …

Biopharmaceuticals have emerged to play a vital role in disease treatment and have shown
promise in the rapidly expanding pharmaceutical market due to their high specificity and …

In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …

Cholesterol is a central building block in biomembranes, where it induces orientational
order, slows diffusion, renders the membrane stiffer, and drives domain formation. Molecular …

Abstract Background Matrix vesicles (MVs) are released from hypertrophic chondrocytes
and from mature osteoblasts, the cells responsible for endochondral and membranous …