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Phase behavior and salt partitioning in polyelectrolyte complex coacervates
Polyelectrolyte complexes are omnipresent both in nature and in the technological world,
including nucleotide condensates, biological marine adhesives, food stabilizers …
including nucleotide condensates, biological marine adhesives, food stabilizers …
HOOMD-blue: A Python package for high-performance molecular dynamics and hard particle Monte Carlo simulations
HOOMD-blue is a particle simulation engine designed for nano-and colloidal-scale
molecular dynamics and hard particle Monte Carlo simulations. It has been actively …
molecular dynamics and hard particle Monte Carlo simulations. It has been actively …
The martini model in materials science
The Martini model, a coarse‐grained force field initially developed with biomolecular
simulations in mind, has found an increasing number of applications in the field of soft …
simulations in mind, has found an increasing number of applications in the field of soft …
Influence of ion solvation on the properties of electrolyte solutions
It is widely appreciated that the addition of salts to water leads to significant changes in the
thermodynamic and dynamic properties of these aqueous solutions that have great …
thermodynamic and dynamic properties of these aqueous solutions that have great …
Coarse-grained residue-based models of disordered protein condensates: utility and limitations of simple charge pattern parameters
Biomolecular condensates undergirded by phase separations of proteins and nucleic acids
serve crucial biological functions. To gain physical insights into their genetic basis, we study …
serve crucial biological functions. To gain physical insights into their genetic basis, we study …
Prediction of the critical micelle concentration of nonionic surfactants by dissipative particle dynamics simulations
Micellization of surfactant solutions is a ubiquitous phenomenon in natural systems and
technological processes, and its theoretical description represents one of the cornerstone …
technological processes, and its theoretical description represents one of the cornerstone …
Molecular Dynamics Simulations of Sodium Dodecyl Sulfate Micelles in Water The Effect of the Force Field
Molecular dynamic (MD) simulations of preassembled sodium dodecyl sulfate (SDS)
micelles are carried out using three versions of GROMOS, as well as CHARMM36, OPLS …
micelles are carried out using three versions of GROMOS, as well as CHARMM36, OPLS …
Analytical formulation and field-theoretic simulation of sequence-specific phase separation of protein-like heteropolymers with short-and long-spatial-range …
A theory for sequence-dependent liquid–liquid phase separation (LLPS) of intrinsically
disordered proteins (IDPs) in the study of biomolecular condensates is formulated by …
disordered proteins (IDPs) in the study of biomolecular condensates is formulated by …
Air separation with graphene mediated by nanowindow-rim concerted motion
Nanoscale windows in graphene (nanowindows) have the ability to switch between open
and closed states, allowing them to become selective, fast, and energy-efficient membranes …
and closed states, allowing them to become selective, fast, and energy-efficient membranes …
Viral genome structures are optimal for capsid assembly
Understanding how virus capsids assemble around their nucleic acid (NA) genomes could
promote efforts to block viral propagation or to reengineer capsids for gene therapy …
promote efforts to block viral propagation or to reengineer capsids for gene therapy …