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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 …
[HTML][HTML] Simulating realistic membrane shapes
Biological membranes exhibit diversity in their shapes and complexity in chemical
compositions that are linked to many cellular functions. These two central features of …
compositions that are linked to many cellular functions. These two central features of …
Effects of weak nonspecific interactions with ATP on proteins
Adenosine triphosphate (ATP) is an immensely well-studied metabolite serving multiple key
biochemical roles as the major chemical energy currency in living systems, a building block …
biochemical roles as the major chemical energy currency in living systems, a building block …
Actin remodeling defects leading to autoinflammation and immune dysregulation
A growing number of monogenic immune-mediated diseases have been related to genes
involved in pathways of actin cytoskeleton remodeling. Increasing evidences associate …
involved in pathways of actin cytoskeleton remodeling. Increasing evidences associate …
Assessing the Martini 3 protein model: A review of its path and potential
Coarse-grained (CG) protein models have become indispensable tools for studying many
biological protein details, from conformational dynamics to the organization of protein macro …
biological protein details, from conformational dynamics to the organization of protein macro …
Protein reconstitution inside giant unilamellar vesicles
Giant unilamellar vesicles (GUVs) have gained great popularity as mimicries for cellular
membranes. As their sizes are comfortably above the optical resolution limit, and their lipid …
membranes. As their sizes are comfortably above the optical resolution limit, and their lipid …
[HTML][HTML] Modeling membranes in situ
Molecular dynamics simulations of cellular membranes have come a long way—from simple
model lipid bilayers to multicomponent systems capturing the crowded and complex nature …
model lipid bilayers to multicomponent systems capturing the crowded and complex nature …
Actomyosin-driven division of a synthetic cell
One of the major challenges of bottom-up synthetic biology is rebuilding a minimal cell
division machinery. From a reconstitution perspective, the animal cell division apparatus is …
division machinery. From a reconstitution perspective, the animal cell division apparatus is …
Unbreaking Assemblies in Molecular Simulations with Periodic Boundaries
In molecular simulations, periodic boundary conditions are typically used to avoid surface
effects occurring at the boundaries of the simulation box. A consequence of this is that …
effects occurring at the boundaries of the simulation box. A consequence of this is that …
Active surface flows accelerate the coarsening of lipid membrane domains
Phase separation of multicomponent lipid membranes is characterized by the nucleation
and coarsening of circular membrane domains that grow slowly in time as∼ t 1/3, following …
and coarsening of circular membrane domains that grow slowly in time as∼ t 1/3, following …