Nanopublication for "Coarse-grained hybrid simulation of liposomes"

<p>This dataset was automatically published through Linkitup by Marat Charlaganov</p

Coarse-grained hybrid simulation of liposomes

<p>We developed a new hybrid model for efficient modeling of complete vesicles with molecular detail. Combining elements of Brownian dynamics (BD) and dynamic density functional theory (DDFT), we reduce the computational load of an existing coarse grained particle-based dissipative particle dynamics (DPD) model by representing the solvent as a continuum variable or a field, in a consistent manner. Both particle and field representations are spatially unrestricted and there is no need to treat boundaries explicitly. We focus on developing a general framework for deriving the parameters in this hybrid approach from existing DPD representations, and validate this new method via a comparison to DPD results. In addition, we consider a few proof of principle calculations for large systems, including a vesicle of realistic dimensions ($45 nm radius) containing O (104) lipids simulated for O (106) time steps, to illustrate the performance of the new method.</p

Demonstrating The Entity Registry System: Implementing 5-Star Linked Data Without the Web

Abstract. Linked Data applications often assume that connectivity to data repositories and entity resolution services are always available. This may not be a valid assumption in many cases. Indeed, there are about 4.5 billion people in the world who have no or limited Web access. Many data-driven applications may have a critical impact on the life of those people, but are inaccessible to such populations due to the architecture of today’s data registries. In this demonstration, we show how our new open-source ERS system can be used as a general-purpose entity registry suitable for deployment in poorly-connected or ad-hoc environments.