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Article

Effect of the Enhanced Cyan Fluorescent Protein framework on the UV/visible absorption spectra of some chromophores.

Interdisciplinary sciences, computational life sciences - 1 Mar 2010

Laurent Adèle D, Assfeld Xavier

Abstract excerpt

Mutation on Enhanced Cyan Fluorescent Protein (ECFP) has been investigated by means of a hybrid quantum mechanics and molecular mechanics (QM/MM) approach. A simple model, which represents the electronic response of the surroundings (ERS) by a polarizable continuum characterized by the relative dielectric constant extrapolated to infinite frequency, is used. For all mutations, this method (QM/MM+ERS) reproduces...

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PMID: 20640795
DOI: 10.1007/s12539-010-0084-z

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