Phys. Rev. Lett. 90, 258101 (2003) [4 pages]Time-Dependent Density-Functional Approach for Biological Chromophores: The Case of the Green Fluorescent Protein
Miguel A. L. Marques1, Xabier López2, Daniele Varsano1,3, Alberto Castro4,3, and Angel Rubio1,3,5 Received 8 January 2003; published 23 June 2003 We performed first-principles calculations of the optical response of the green fluorescent protein (GFP) within a combined quantum-mechanical molecular-mechanics and time-dependent density-functional theory approach. The computed spectra are in excellent agreement with experiments assuming the presence of two, protonated and deprotonated, forms of the photoreceptor in a ∼4∶1 ratio, which supports the conformation model of photodynamics in GFP. Furthermore, we discuss charge transfer, isomerization, and environment effects. The present approach allows for systematic studies of excited-state electron-ion dynamics in biological systems. ©2003 The American Physical Society
URL: http://link.aps.org/doi/10.1103/PhysRevLett.90.258101 [ Abstract | Previous article | Next article | Issue 25 ] |
A new free weekly publication from APS 
Read the latest from Physics:
Viewpoint: Are iron pnictides new cuprates? |
About PROLA | Terms and Conditions | Subscriptions | Search | Help
Content in PROLA © 2009 by The American Physical Society All rights reserved. PROLA™ is a trademark of The American Physical Society. Use of APS online journals implies that the user has read and agrees to the Terms and Conditions in the Subscription Agreement.