MOLECULAR SIMULATIONS AND MARKOV STATE MODELING REVEAL THE STRUCTURAL DIVERSITY AND DYNAMICS OF A THEOPHYLLINE-BINDING RNA APTAMER IN ITS UNBOUND STATE.

Molecular simulations and Markov state modeling reveal the structural diversity and dynamics of a theophylline-binding RNA aptamer in its unbound state.

RNA aptamers are oligonucleotides that bind with high specificity and affinity to target ligands.In the absence of bound ligand, secondary structures of RNA aptamers are generally stable, but single-stranded and loop regions, including ligand binding sites, lack defined structures and exist as ensembles of conformations.For example, the well-charac

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Producing non-steady-state gaits (starting, stopping, and turning) in a biologically realistic quadrupedal simulation

Multibody dynamic analysis (MDA) has become part of the standard toolkit used to reconstruct the biomechanics of extinct Silicone Straws animals.However, its use is currently almost exclusively limited to steady state activities such as walking and running at constant velocity.If we want to reconstruct the full range of activities that a given morp

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Hybrid bio-fiber/bio-ceramic composite materials: Mechanical performance, thermal stability, and morphological analysis

Hybrid composite materials are becoming more desirable for various industrial applications to enhance sustainability and develop better environmentally friendly green products.This work aims Bariatric Wheelchairs to enhance the synergy of both bio-ceramic eggshell materials and date palm leaflet (DPL) fillers to integrate their advantages in an opt

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