The concentration change of each entity x i, 1 ≤ i ≤ m, is the sum over all fluxes of reactions where it appears as a product minus the sum over all fluxes of reactions where it appears as a reactant, mathematically [ 19] (4) ẋ i = ∑ j ≠ i n a i j v j - ∑ j ≠ i n b i j v j for i ≤ 1 ≤ m.
In Eq. 4, M is the sum of the toxic units.
where h k (m) is the sum over the impulse responses of the filters of the filterbank.
Here, n m is the sum of the thermal noise and the uncoordinated out-of-cluster interference, modeled as independent complex additive white Gaussian noise[24].
The resulting signal m is the sum of all signals m i (each of which has a maximum resolution of R) at resolution r≤R, whereby, W denotes a wavelet transformation.
The concept of graph energy was further extended to any matrix in [2]: the energy (E(M)) of a (not necessarily square) matrix M is the sum of its singular values, where the singular values of M are the square roots of the eigenvalues of the (square) matrix (MM^{T}) ((M^{T}) stands for the transpose of M).
The total traffic flow at the global IPDS is given by, f G m = Σ m = 1 i f out L m (5 where f out (L m ) is the sum of all outgoing traffic flow coming out from all the local IPDS.
The score for one set of modes is calculated by: such that interactions(m) is the sum of hydrogen bond scores as described above and penalty(m) the penalty for flipping groups or choosing uncommon protonation states as listed in Table 2.
In its most aggregate form it is: Open image in new window (1 which reads as "The quantity of interest M is the sum of first: number density of pedestrians, second: a flow-like value over some speed constant c1, and third: crowd pressure over the square of a second speed constant c2".
Root mean square deviations (RMSD) were calculated using the following formula (after a mass-weighted least square fitting to a reference structure): <img src="http://journals.plos.org/plosone/article/asset?id=info?doi/10.1371/journal.pone.0010934.e001.PNG" class= inline-graphic"/> where M is the sum of atomic masses, mi is the mass of atom i and t = inline-graphice selected reference structure.
