Journal of the American Chemical Society · 2019 · 82 citations · 40 references
Natural SciencesBiochemistryBiophysicsBiophysical ChemistryStructural BiologySupramolecular ChemistryAtp HydrolysisMacromolecular AssemblyMacromolecular StructureSelf-assembled NanostructuresSelf-assemblySelf-assembly Of NanomaterialsAtp-dependent AssemblyBiomolecular AssemblyMolecular Self-assemblyProtein Self-assemblySelf-assembly MechanismsSelf-assembly Of BiomoleculesSupramolecular InteractionsSupramolecular Self-assembly
Self-assembly of small molecules through noncovalent interactions into nanoscale architectures has been extensively studied in supramolecular chemistry. However, it is still challenging to develop a biologically inspired self-assembly system that functions in water with complex structure and dynamics by analogy with those found in nature. Here, we report a new water-soluble cationic porphyrin that undergoes adenosine triphosphate (ATP)-templated self-assembly into right-handed double-helical supramolecular structures. Direct observation of the porphyrin-ATP assembly by transmission electron microscopy has been accomplished. The assemblies consist of superhelical fibers with length greater than 1 μm and width ∼46 nm. The chiral superhelical fibers show reversible disassembly to monomers upon hydrolysis of ATP catalyzed by alkaline phosphatase (ALP), and the nanofibers can be re-formed with subsequent addition of ATP. Moreover, transient self-assembly of a chiral double helix is formed when ALP is present to consume ATP.
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Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17
COMPASS II: extended coverage for polymer and drug-like molecule databases
Huai Sun, Zhao Jin, Chunwei Yang et al. · Journal of Molecular Modeling · 2016 · 996 citations