Based on these, energetically favorable and unfavorable contributions to the binding affinity can be assessed on an atomic level.
However, the compounds containing the R groups -C CH3 3, -CH(CH3 2, -CH2CH3, and -CH3 were all found to be energetically favorable based on the MD simulations (see Figure 7 of the Supporting Information).
Reaction is initiated by an electron impacting a helium nanodroplet containing sodium atoms and SF6 molecules, leading to preferential production of energetically favorable structures based on the unit cell of crystalline NaF.
Based on the premise of protein mutational landscapes, AmyloidMutants energetically quantifies the effects of sequence mutation on fibril conformation and stability.
Yet transferring a literary confection to the screen is a dicey proposition that can produce a wonderfully inspired Oscar winner like "The English Patient," based on the novel by Michael Ondaatje, or dissolve into an energetically silly mess like "Shining Through," the 1992 film version of Susan Isaacs's popular novel.
In addition, based on the theoretical calculation, Miller13 predicted that sII CO clathrate is energetically more favourable than its sI counterpart.
Based on the interactions of probe with protein molecule it returned ten energetically favored clusters.
A model based on the effective medium approximation is presented which describes surface diffusivity on an energetically heterogeneous surface as a function of overall surface coverage and a heterogeneity parameter.
An analysis based on the coincidence approach relates the complex structure of this interface to an energetically favourable configuration due to a compromise between elastic strain minimisation and misfit accommodation.
The applicability of the isotherm equation was compared by judging the correlation coefficients, r 2. The Langmuir adsorption isotherm is based on the assumption that all the adsorption sites on the adsorbent surface are energetically equivalent.
