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| | Issue Date | Title | Author(s) |
| 1 | 3-Sep-2009 | Heme cavity dynamics of photodissociated CO from ba3-Cytochrome c oxidase : the role of ring-D propionate | Porrini, Massimiliano ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos |
| 2 | Sep-2009 | Binding and docking interactions of NO, CO and O 2 in heme proteins as probed by density functional theory | Varotsis, Constantinos ; Daskalakis, Vangelis |
| 3 | Jul-2009 | Towards the Understanding of His411-FeIV=O Spectroscopic Properties in Ferryl Intermediate of Cytochrome c Oxi-dase + O2 Reaction: A Theoretical QM/MM, MD Approach | Daskalakis, Vangelis ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos |
| 4 | Jul-2009 | Theoretical Studies of Metal-NOx species, isolated and in aqueous solutions: Raman bands | Daskalakis, Vangelis ; Varotsis, Constantinos |
| 5 | Jul-2009 | Cytochrome c Oxidase + O2 reaction intermediates as probed by Density Functional Theory: The Proximal and Distal to heme a3 effects | Daskalakis, Vangelis ; Varotsis, Constantinos |
| 6 | Feb-2008 | The Study of cyto-chrome c Oxidase on the EGEE Grid | Gervasi, Osvaldo ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Giatromanolakis, Manos |
| 7 | 2008 | Assigning vibrational spectra of ferryl-oxo intermediates of cytochrome c oxidase by periodic orbits and molecular dynamics | Farantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Vangelis |
| 8 | 14-Aug-2007 | Probing the environment of Cu B in heme-copper oxidases | Pinakoulaki, Eftychia ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
| 9 | 2007 | Protein dynamics and spectroscopy for ferryl intermediate of cytochrome c oxidase: a molecular dynamics approach | Farantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. |
| 10 | 2007 | EGEE: Applications in Classical and Quantum Molecular Dynamics | Daskalakis, Vangelis ; Giatromanolakis, Manos ; Farantos, Stavros C. ; Gerbasi, Osvaldo |
| 11 | 23-May-2006 | Two ligand-binding sites in the O2-sensing signal transducer HemAT: implications for ligand recognition/discrimination and signaling | Pinakoulaki, Eftychia ; Yoshimura, Hideaki ; Yoshioka, Shiro ; Aono, Shigetoshi ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
| 12 | 2006 | Diogygen activation and bond cleavage in cell respiration as probed by resonance raman spectroscopy | Pinakoulaki, Eftychia ; Ohta, Takehiro ; Daskalakis, Evangelos ; Aggelaki, M. ; Kitagawa, Teizo ; Ludwig, Bernd ; Varotsis, Constantinos |
| 13 | 15-Apr-2005 | Structural dynamics of heme-copper oxidases and nitric oxide reductases: Time-resolved step-scan Fourier transform infrared and time-resolved resonance Raman studies | Pinakoulaki, Eftychia ; Koutsoupakis, Constantinos ; Stavrakis, Stavros ; Aggelaki, Marialena ; Papadopoulos, George ; Daskalakis, Vangelis ; Varotsis, Constantinos |
| 14 | 12-Apr-2004 | Time-resolved step-scan Fourier transform infrared investigation of heme-copper oxidases: implications for O 2 input and H 2O/H + output channels | Koutsoupakis, Constantinos ; Pinakoulaki, Eftychia ; Stavrakis, Stavros ; Daskalakis, Vangelis ; Varotsis, Constantinos |
| 15 | 2002 | DFT Study of endoperoxides and their in-termediates in Fe(II) cleavage of the endoperoxy bridge | Daskalakis, Vangelis ; Frudakis, George ; Varotsis, Constantinos |
