This kind of event type is mainly attributed to given chemical modification of the pore with 3-APTES, during which positively charged amine groups became attached to the membrane surface, making it energetically favorable for negative molecules to approach the pore.
More negative values indicate energetically favorable residues.
The raw QMEAN score and the individual terms have different scales and algebraic signs: QMEAN and agreement terms range from 0 to 1 and the statistical potential terms deliver pseudo energies with negative values for energetically favourable states.
Association of two adjacent bundles of thickness s to form a thicker one is energetically favorable when ΔEdim(s) is negative.
The Gibbs energy change (ΔG°) indicates the degree of spontaneity of an adsorption process, and a higher negative value reflects a more energetically favourable adsorption.
Particularly, the formation energies of TiO2 doped with Cr, Co, and Ni are found to be negative, showing that it is energetically more favorable to substitute Co, Ni, or Cr to a Ti site than other metals.
Negative ΔG rates indicate the spontaneous type of the reaction (Wan Ngah and Hanafiah 2008), or rather, the more negative is the ΔG rate, the more energetically favorable is the adsorption process (Debrassi et al. 2011).
The simulations show that Q155N and E159D at the major homology region (MHR) and W184A and M185A at the helix 2 region are energetically less favorable than the wild-type, imposing profound negative effects on intermolecular CA−CA dimerization.
Our ranking scheme does not take into account whether a particular transformation reaction is energetically more favorable, i.e. yields a more negative change in free energy, than other possible transformation reactions.
In sim-K2, the binding free energy was −35.01 kcal·mol−1, where the negative values indicated that the binding processes are energetically favorable.
