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Two decades of Martini: Better beads, broader scope
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …
been around for nearly two decades. Originally developed for lipid‐based systems by the …
Perspective on the Martini model
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …
broad range of applications since its release a decade ago. Based on a building block …
Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations
For simulations of membranes and membrane proteins, the generation of the lipid bilayer is
a critical step in the setup of the system. Membranes comprising multiple components pose …
a critical step in the setup of the system. Membranes comprising multiple components pose …
CHARMM-GUI martini maker for coarse-grained simulations with the martini force field
Coarse-grained simulations are widely used to study large biological systems. Nonetheless,
building such simulation systems becomes nontrivial, especially when membranes with …
building such simulation systems becomes nontrivial, especially when membranes with …
Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solvent
Coarse-grained (CG) models allow simulation of larger systems for longer times by
decreasing the number of degrees of freedom compared with all-atom models. Here we …
decreasing the number of degrees of freedom compared with all-atom models. Here we …
CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides
PC Hsu, BMH Bruininks, D Jefferies… - 2017 - Wiley Online Library
A complex cell envelope, composed of a mixture of lipid types including
lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins …
lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins …
A sub-nanometre view of how membrane curvature and composition modulate lipid packing and protein recruitment
Two parameters of biological membranes, curvature and lipid composition, direct the
recruitment of many peripheral proteins to cellular organelles. Although these traits are often …
recruitment of many peripheral proteins to cellular organelles. Although these traits are often …
The molecular face of lipid rafts in model membranes
Cell membranes contain a large number of different lipid species. Such a multicomponent
mixture exhibits a complex phase behavior with regions of structural and compositional …
mixture exhibits a complex phase behavior with regions of structural and compositional …
Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments
In bionanotechnology, the field of creating functional materials consisting of bio-inspired
molecules, the function and shape of a nanostructure only appear through the assembly of …
molecules, the function and shape of a nanostructure only appear through the assembly of …
[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 …