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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 C2 Filled Ice

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In silico study of DNA mononucleotide self-assembly

Recent experiments have demonstrated the self-assembly and long-range ordering of concentrated aqueous solutions of DNA and RNA mononucleotides. These are found to form Watson–Crick pairs that stack into columns that become spatially organized into a …

Hindered intermolecular stacking of anti-parallel telomeric G-quadruplexes

Telomeric G-quadruplexes (G4s) are non-canonical DNA structures composed of TTAGGG repeats. They are extensively studied both as biomolecules key for genome stability and as promising building blocks and functional elements in synthetic biology and …

Remark on Algorithm 1010: Boosting efficiency in solving quartic equations with no compromise in accuracy.

In this second remark we present a revised correction to Algorithm 1010 [A. Orellana and C. De Michele 2020] with respect to the one already proposed in the remark on Algorithm 1010 [C. De Michele 2022]

A correct, reversible Trotter splitting for the evolution operator in molecular dynamics simulations of molecular systems with constraints

For generating an isobaric–isothermal ensemble in molecular dynamics simulations of atomic systems a correct ensemble distribution can be obtained by the approach of Martyna, Tobias and Klein [J. Chem. Phys. 101, 4177–4189 (1994)]. The constituting …