So when cooled to a few billionths of a degree above absolute zero, bosons sink into the same quantum state, becoming, to all intents, a single, giant, ensemble atom: a BEC.
The molecular research test case analyzes the local neighborhood around an individual atom within an ensemble of nuclear magnetic resonance (NMR) models, enabling immersive visual comparison of the local conformation with the local NMR experimental data, including target curves for residual dipolar couplings (RDCs).
DOI: http://dx.doi.org/10.7554/eLife.00311.026 All atoms comprising the ensemble are assigned a probability (P i ) based on the positional likelihood of atom i in a given model relative to the complete ensemble of models.
The parameters were set as follows: Et = 1.2{⟨Δ Vt(r)⟩}, αt = 0.20 kcal/mol, ET = 0.2 kcal/mol·number atoms, plus the ensemble averaged potential energy from the conventional MD simulations, and αT = 0.2 kcal/mol·number atoms.
Using a bimodal fit, consisting of a Thomas Fermi and a Gaussian distribution, the number of atoms in the ensemble and its size and position are calculated.
The modeling framework considers the shear transformation zone (STZ) as the fundamental unit of deformation, and coarse-grains an amorphous collection of atoms into an ensemble of STZs on a mesh.
The covariance matrix of the APOFORCED trajectories was constructed, based on the three-dimensional positional fluctuations of C-α atoms from their ensemble average position, and diagonalized, creating a set of eigenvectors and eigenvalues that represent the direction and the amplitude of the motion, respectively.
The final ensemble of atom-specific, bagging ANNs could then predict the interface atoms of a given query protein surface.
(a), Schematic diagram of the optical waveguide system, interfaced with an ensemble of atoms where propagating light fields and play the role of Dirac spinor components.
In addition, the numbers of atoms in the thermal ensemble and in the BEC in space are 64% higher than those obtained on the ground.
