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| | Issue Date | Title | Author(s) |
| 41 | Dec-2013 | Probing the Effects of Atmospheric Pollu-tants on Ice Nucleation | Daskalakis, Vangelis ; Hadjicharalambous, Marios |
| 42 | 30-May-2013 | The protein effect in the structure of two ferryl-oxo intermediates at the same oxidation level in the heme copper binuclear center of cytochrome c oxidase | Pinakoulaki, Eftychia ; Daskalakis, Vangelis ; Ohta, Takehiro ; Richter, Oliver Matthias H ; Budiman, Kerstin ; Kitagawa, Teizo ; Ludwig, Bernd ; Varotsis, Constantinos |
| 43 | Feb-2013 | The structure of the hyponitrite in nitric oxide reductase (NOR) | Daskalakis, Vangelis ; Varotsis, Constantinos |
| 44 | 3-May-2012 | Non-linear Vibrational Modes in Biomolecules: a Periodic Orbits Description | Farantos, Stavros C. ; Kampanarakis, Alexandros ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Kampanarakis, Alexandros |
| 45 | 13-Apr-2012 | Exploring the topography of free energy surfaces and kinetics of cytochrome c oxidases interacting with small ligands | Porrini, Massimiliano ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Porrini, Massimiliano |
| 46 | Apr-2012 | The origin of the FeIV = O intermediates in cytochrome aa3 oxidase | Varotsis, Constantinos ; Pinakoulaki, Eftychia ; Daskalakis, Vangelis |
| 47 | 2012 | Tuning Heme Functionality: The Cases of Cytochrome c Oxidase and Myoglobin Oxidation | Daskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos |
| 48 | 2012 | Grid computing multiple shooting algorithms for extended phase space sampling and long time propagation in molecular dynamics | Daskalakis, Vangelis ; Giatromanolakis, Manos ; Porrini, Massimiliano ; Farantos, Stavros C. ; Gervasi, Osvaldo |
| 49 | Aug-2011 | Probing the effect of the proximal and distal to the heme a3 environments in the Cytochrome c Oxidase dioxygen reaction | Daskalakis, Vangelis ; Varotsis, Constantinos |
| 50 | 7-Apr-2011 | Regulation of electron and proton transfer by the protein matrix of cytochrome C oxidase | Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. |
| 51 | Jun-2010 | QM/MM Calculations on Cyto-chrome c Oxidase: Probing of electron and proton pump coupling | Daskalakis, Vangelis ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos |
| 52 | 21-Jan-2010 | Vibrational resonances and Cu B displacement controlled by proton motion in cytochrome c oxidase | Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Vangelis |
| 53 | 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 |
| 54 | 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 |
| 55 | 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 |
| 56 | Jul-2009 | Theoretical Studies of Metal-NOx species, isolated and in aqueous solutions: Raman bands | Daskalakis, Vangelis ; Varotsis, Constantinos |
| 57 | 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 |
| 58 | Feb-2008 | The Study of cyto-chrome c Oxidase on the EGEE Grid | Gervasi, Osvaldo ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Giatromanolakis, Manos |
| 59 | 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 |
| 60 | 14-Aug-2007 | Probing the environment of Cu B in heme-copper oxidases | Pinakoulaki, Eftychia ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Pinakoulaki, Eftychia |
