Exact(3)
Hierarchical clustering, frequency distribution analysis (histogram) and analysis of variance were performed in the freeware statistical program R (Auckland, NZ).
The highest binding energy of -7.62 Kcal/mol was obtained for a conformation in which the epoxy group of the ligand is close to the nucleophilic hydroxyl group of the protein but with only a 10% clustering frequency.
Docked withefrin A positions itself into the S1 pocket of the receptor as shown in Figure 4. Moreover the ligand occupies the same conformation as required to facilitate the nucleophilic attack, positioning its lactone ring in vicinity of the hydroxyl nucleophile, with a clustering frequency of 30%.
Similar(5)
Dashed lines denote clustered frequency bins constituting potential SU-friendly white spaces.
However, if S _FACTOR is too large, the lifetime decreases, because there are too many clustering frequencies.
(1) Frequency-based Cohort Clustering: Frequency-based clustering allows one to follow one's basic intuition to see the "main idea" of data.
The existing clustering technique might cluster local frequency items at a low level, since it estimates association among items in an itemset with a low accuracy, and thus a new algorithm for clustering local frequency items is proposed.
Several improvements have been proposed to enhance LEACH-C by considering residual energy [19], a re-clustering frequency [20], and solar cells [21].
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