Recent medical advances have exploited the ability to address a given disease at the
underlying level of transcription and translation. These treatment paradigms utilize nucleic …

Antimicrobial peptides (AMPs) have remarkably different structures as well as biological
activity profiles, whereupon most of these peptides are supposed to kill bacteria via …

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 …

A significant modification to the additive all-atom CHARMM lipid force field (FF) is developed
and applied to phospholipid bilayers with both choline and ethanolamine containing head …

The AMBER lipid force field has been updated to create Lipid14, allowing tensionless
simulation of a number of lipid types with the AMBER MD package. The modular nature of …

We extend the modular AMBER lipid force field to include anionic lipids, polyunsaturated
fatty acid (PUFA) lipids, and sphingomyelin, allowing the simulation of realistic cell …

During the last few years, there has been an extraordinary increase in publications
describing the manifold applications of monoolein, one of the most important lipids in the …

Lipid areas (A ℓ), bilayer area compressibilities (KA), bilayer bending constants (KC), and
monolayer spontaneous curvatures (c 0) from simulations using the CHARMM36 force field …

β-Barrel outer membrane proteins (OMPs) represent the major proteinaceous component of
the outer membrane (OM) of Gram-negative bacteria. These proteins perform key roles in …

Gene silencing by RNA interference represents a promising therapeutic approach. The
development of carriers, eg, polymers, lipids, peptides, antibodies, aptamers, small …