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Shadow Hamiltonian in molecular dynamics simulations: Against a possible suggested misuse of its physical meaning

Symplectic integrators are largely employed in MD due to their long-term stability and near conservation of invariants. Their numerical robustness can be rationalized by the existence of a shadow Hamiltonian Hsh, exactly conserved by symplectic …

Ligands reshape the compactness, stability, and topology of telomeric G-quadruplex dimers

G-quadruplexes (G4s) are noncanonical nucleic acid structures especially abundant in telomeres, where they can assemble into higher-order multimers. Stabilization of these assemblies is recognized as a promising strategy for suppressing tumor …

Phosphate anions-induced liquid-liquid phase separation in silk fibroin systems to produce biologically stable patches

Silk fibroin (SF), the primary protein component of Bombyx mori silkworm cocoons, undergoes liquid–liquid phase separation (LLPS), followed by coacervation into fibers, in the silkworm glands. The molecular mechanisms underlying LLPS remain to be …

Erratum: Giant Splitting of the Hydrogen Rotational Eigenenergies in the C2 Filled Ice [Phys. Rev. Lett. 133, 236101 (2024)]

Relating thermodynamic quantities of convex-hard-body fluids to the body's shape

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Destabilizing Interactions in Human Telomeric G-Quadruplex Multimers

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Polymeric Properties of Telomeric G-Quadruplex Multimers: Effects of Chemically Inert Crowders

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Fragile-to-strong glass transition in two-dimensional vortex liquids

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Dynamical arrest for globular proteins with patchy attractions

Attempts to use colloid science concepts to better understand the dynamic properties of concentrated or crowded protein solutions are challenging due to the fact that globular proteins generally have heterogeneous surfaces that result in anisotropic …

Giant Splitting of the Hydrogen Rotational Eigenenergies in the $C_2$ Filled Ice

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