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[HTML][HTML] Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their …
Combined experimental and computational studies of lipid membranes and liposomes, with
the aim to attain mechanistic understanding, result in a synergy that makes possible the …
the aim to attain mechanistic understanding, result in a synergy that makes possible the …
GENESIS: a hybrid‐parallel and multi‐scale molecular dynamics simulator with enhanced sampling algorithms for biomolecular and cellular simulations
GENESIS (Generalized‐Ensemble Simulation System) is a new software package for
molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called …
molecular dynamics (MD) simulations of macromolecules. It has two MD simulators, called …
Computational and experimental approaches to investigate lipid nanoparticles as drug and gene delivery systems
Lipid nanoparticles (LNPs) have been widely applied in drug and gene delivery. More than
twenty years ago, DoxilTM was the first LNPs-based drug approved by the US Food and …
twenty years ago, DoxilTM was the first LNPs-based drug approved by the US Food and …
Self-assembly and critical aggregation concentration measurements of ABA triblock copolymers with varying B block types: model development, prediction, and …
The dissipative particle dynamics (DPD) simulation technique is a coarse-grained (CG)
molecular dynamics-based approach that can effectively capture the hydrodynamics of …
molecular dynamics-based approach that can effectively capture the hydrodynamics of …
Multiscale, multiresolution coarse-grained model via a hybrid approach: solvation, structure, and self-assembly of aromatic tripeptides
Short aromatic peptides have been observed to assemble into diverse nanostructures,
including fibers, tubes, and vesicles, using computational techniques. However, the …
including fibers, tubes, and vesicles, using computational techniques. However, the …
Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery
Lipid-mediated delivery of active pharmaceutical ingredients (API) opened new possibilities
in advanced therapies. By encapsulating an API into a lipid nanocarrier (LNC), one can …
in advanced therapies. By encapsulating an API into a lipid nanocarrier (LNC), one can …
Anisotropic motions of fibrils dictated by their orientations in the lamella: a coarse-grained model of a plant cell wall
Plant cell walls are complex systems that exhibit the characteristics of both rigid and soft
material depending on their external perturbations. The three main polymeric components in …
material depending on their external perturbations. The three main polymeric components in …
Reproduction of super-multicomponent self-assembled structures and their functionality using coarse-grained molecular simulation–the example of cleansing agents
Self-assembly of multi-component systems can provide a large variety of functions, which is
impossible for a single-component system, and those multi-component derived functional …
impossible for a single-component system, and those multi-component derived functional …
Mesoscale modelling of environmentally responsive hydrogels: emerging applications
Stimuli-sensitive hydrogels are an exciting class of materials with widespread potential for
use in engineering and biomedical applications. The design of advanced functional devices …
use in engineering and biomedical applications. The design of advanced functional devices …
Monosaccharides driving the formation of conjugated linoleic acid vesicles in near-neutral solutions via weak noncovalent bonding interactions
L Li, Y Fang, Y **a, C Bo, Y Fan - Journal of Molecular Liquids, 2022 - Elsevier
Acted as the second component of fatty acid vesicles (FAV), almost all reported chemicals
except for bio-incompatible cationic amphiphiles caused a one-side pH window extension of …
except for bio-incompatible cationic amphiphiles caused a one-side pH window extension of …