First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model

Article ID	Journal	Published Year	Pages	File Type
5394667	Computational and Theoretical Chemistry	2012	9 Pages	PDF

Abstract

âº CASSCF and MRCI calculations of three-dimensional PES for the proton chain transfer in GFP. âº The results are contrasted with those of other computational studies using both CASPT2 method and DFT method. âº The results are compared with the experimental findings for GFP in the full protein environment.

Keywords

CASSCF Potential energy surfaces green fluorescent protein

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model

Authors

Hong Zhang, Qiao Sun, Zhen Li, Shinkoh Nanbu, Sean S. Smith,