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| Issue Date | Title | Author(s) |
| 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 |
| 2007 | EGEE: Applications in Classical and Quantum Molecular Dynamics | Daskalakis, Vangelis ; Giatromanolakis, Manos ; Farantos, Stavros C. ; Gerbasi, Osvaldo |
| 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 |
| 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 |
| 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 |
| 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 |
| 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. |
| 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 |
| 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. |
| Feb-2008 | The Study of cyto-chrome c Oxidase on the EGEE Grid | Gervasi, Osvaldo ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Giatromanolakis, Manos |
| 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 |
| 2012 | Tuning Heme Functionality: The Cases of Cytochrome c Oxidase and Myoglobin Oxidation | Daskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos |
| 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 |
