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Results: 1 to 20 of 107

1.

Novel approach to excited-state calculations of large molecules based on divide-and-conquer method: application to photoactive yellow protein.

Yoshikawa T, Kobayashi M, Fujii A, Nakai H.

J Phys Chem B. 2013 May 9;117(18):5565-73. doi: 10.1021/jp401819d. Epub 2013 Apr 29.

PMID:
23627739
[PubMed - indexed for MEDLINE]
2.

Controlling the photoreactivity of the photoactive yellow protein chromophore by substituting at the p-coumaric acid group.

Boggio-Pasqua M, Groenhof G.

J Phys Chem B. 2011 Jun 2;115(21):7021-8. doi: 10.1021/jp108977x. Epub 2011 May 11.

PMID:
21561119
[PubMed - indexed for MEDLINE]
Free PMC Article
3.

Ab initio excited-state dynamics of the photoactive yellow protein chromophore.

Ko C, Levine B, Toniolo A, Manohar L, Olsen S, Werner HJ, Martínez TJ.

J Am Chem Soc. 2003 Oct 22;125(42):12710-1.

PMID:
14558810
[PubMed - indexed for MEDLINE]
4.

Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study.

González EM, Guidoni L, Molteni C.

Phys Chem Chem Phys. 2009 Jun 14;11(22):4556-63. doi: 10.1039/b902615k. Epub 2009 May 5.

PMID:
19475175
[PubMed - indexed for MEDLINE]
5.

pB(2) intermediate of the photoactive yellow protein: structure and excitation energies.

Hsiao YW, Thiel W.

J Phys Chem B. 2011 Mar 10;115(9):2097-106. doi: 10.1021/jp1104714. Epub 2011 Feb 14.

PMID:
21319777
[PubMed - indexed for MEDLINE]
6.

Quantum chemical comparison of vertical, adiabatic, and 0-0 excitation energies: the PYP and GFP chromophores.

Uppsten M, Durbeej B.

J Comput Chem. 2012 Sep 5;33(23):1892-901. doi: 10.1002/jcc.23027. Epub 2012 May 28.

PMID:
22641503
[PubMed - indexed for MEDLINE]
7.

Structural evolution of the chromophore in the primary stages of trans/cis isomerization in photoactive yellow protein.

Heyne K, Mohammed OF, Usman A, Dreyer J, Nibbering ET, Cusanovich MA.

J Am Chem Soc. 2005 Dec 28;127(51):18100-6.

PMID:
16366562
[PubMed - indexed for MEDLINE]
Free PMC Article
8.

Ultrafast hydrogen-bonding dynamics in the electronic excited state of photoactive yellow protein revealed by femtosecond stimulated Raman spectroscopy.

Nakamura R, Hamada N, Abe K, Yoshizawa M.

J Phys Chem B. 2012 Dec 27;116(51):14768-75. doi: 10.1021/jp308433a. Epub 2012 Dec 14.

PMID:
23210980
[PubMed - indexed for MEDLINE]
9.

Excited state geometry of photoactive yellow protein chromophore: a combined conductorlike polarizable continuum model and time-dependent density functional study.

Wang Y, Li H.

J Chem Phys. 2010 Jul 21;133(3):034108. doi: 10.1063/1.3462248.

PMID:
20649309
[PubMed - indexed for MEDLINE]
10.

Excited-State Electronic Structure with Configuration Interaction Singles and Tamm-Dancoff Time-Dependent Density Functional Theory on Graphical Processing Units.

Isborn CM, Luehr N, Ufimtsev IS, Martínez TJ.

J Chem Theory Comput. 2011 Jun 14;7(6):1814-1823. Epub 2011 May 12.

PMID:
21687784
[PubMed]
Free PMC Article
11.

Photoisomerisation quantum yield and non-linear cross-sections with femtosecond excitation of the photoactive yellow protein.

Lincoln CN, Fitzpatrick AE, van Thor JJ.

Phys Chem Chem Phys. 2012 Dec 5;14(45):15752-64. doi: 10.1039/c2cp41718a. Epub 2012 Oct 23.

PMID:
23090503
[PubMed - indexed for MEDLINE]
12.

Primary photodynamics of a biomimetic model of photoactive yellow protein (PYP).

Changenet-Barret P, Loukou C, Ley C, Lacombat F, Plaza P, Mallet JM, Martin MM.

Phys Chem Chem Phys. 2010 Nov 7;12(41):13715-23. doi: 10.1039/c0cp00618a. Epub 2010 Sep 21.

PMID:
20856983
[PubMed - indexed for MEDLINE]
13.

Photoisomerization and proton transfer in photoactive yellow protein.

Thompson MJ, Bashford D, Noodleman L, Getzoff ED.

J Am Chem Soc. 2003 Jul 9;125(27):8186-94.

PMID:
12837088
[PubMed - indexed for MEDLINE]
14.

Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore.

Zuev D, Bravaya KB, Crawford TD, Lindh R, Krylov AI.

J Chem Phys. 2011 Jan 21;134(3):034310. doi: 10.1063/1.3516211.

PMID:
21261356
[PubMed - indexed for MEDLINE]
15.

Signal transduction in the photoactive yellow protein. I. Photon absorption and the isomerization of the chromophore.

Groenhof G, Lensink MF, Berendsen HJ, Snijders JG, Mark AE.

Proteins. 2002 Aug 1;48(2):202-11.

PMID:
12112689
[PubMed - indexed for MEDLINE]
16.

Spectral tuning in photoactive yellow protein by modulation of the shape of the excited state energy surface.

Philip AF, Nome RA, Papadantonakis GA, Scherer NF, Hoff WD.

Proc Natl Acad Sci U S A. 2010 Mar 30;107(13):5821-6. doi: 10.1073/pnas.0903092107. Epub 2010 Mar 10.

PMID:
20220103
[PubMed - indexed for MEDLINE]
Free PMC Article
17.

Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory.

Chiba M, Fedorov DG, Kitaura K.

J Comput Chem. 2008 Dec;29(16):2667-76. doi: 10.1002/jcc.21000.

PMID:
18484637
[PubMed - indexed for MEDLINE]
18.

Probing the photochemical mechanism in photoactive yellow protein.

El-Gezawy H, Rettig W, Danel A, Jonusauskas G.

J Phys Chem B. 2005 Oct 6;109(39):18699-705.

PMID:
16853405
[PubMed - indexed for MEDLINE]
19.

Femtosecond spectroscopic observations of initial intermediates in the photocycle of the photoactive yellow protein from Ectothiorhodospira halophila.

Devanathan S, Pacheco A, Ujj L, Cusanovich M, Tollin G, Lin S, Woodbury N.

Biophys J. 1999 Aug;77(2):1017-23.

PMID:
10423446
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

Vibrational assignment of the 4-hydroxycinnamyl chromophore in photoactive yellow protein.

Unno M, Kumauchi M, Tokunaga F, Yamauchi S.

J Phys Chem B. 2007 Mar 15;111(10):2719-26. Epub 2007 Feb 21.

PMID:
17311445
[PubMed - indexed for MEDLINE]

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