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Temperature and pressure effects on GFP mutants: explaining spectral changes by molecular dynamics simulations and TD-DFT calculations.

Physical chemistry chemical physics : PCCP - 14 May 2016

Jacchetti Emanuela, Gabellieri Edi, Cioni Patrizia, Bizzarri Ranieri, Nifosì Riccardo

Abstract excerpt

By combining spectroscopic measurements under high pressure with molecular dynamics simulations and quantum mechanics calculations we investigate how sub-angstrom structural perturbations are able to tune protein function. We monitored the variations in fluorescence output of two green fluorescent protein mutants (termed Mut2 and Mut2Y, the latter containing the key T203Y mutation) subjected to pressures up to...

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PMID: 27102429
DOI: 10.1039/c6cp01274d

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