Exact(33)
In this initial study, the single substitution position, X, was substituted with alkyl side-chains (Ala < Val < Ile, in order of increasing hydrophobicity) or aromatic side-chains (Phe, Tyr).
Further investigation on 1-, 2- and 4-mono-substituted derivatives of pyrene with the effect of the substitution position and the substituents showed: (1) LUMO is decreased when the substituent is an electron acceptor group; (2) HOMO is increased when the substituent is an electron donor group.
The calculations show that the adsorption and emission spectra are affected by the substitution position.
The presented absorption and emission spectra were affected by the substitution position.
The only difference of the three isomers is the substitution position of chlorine atom.
Key features, including the linker length, linker functionality, substitution position, and interacting groups, have been explored.
Similar(27)
Various substitution positions and side chain variations were studied.
This is the distance that separates the precipitated oxygen and carbon in the substitution positions.
It calculates the subPSEC (substitution position-specific evolutionary conservation) score based on an alignment of evolutionarily related proteins.
The results are outlined in Table 3 and 4. The Panther software calculates sub psec scores - substitution position-specific evolutionary conservation.
A measure of conservation was derived from the absolute value of the substitution position-specific evolutionary conservation score, termed "subPSEC," which was obtained by aligning a given protein against a library of Hidden Markov Models (HMM) representing distinct protein families [88], [89].
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