Publications

Results 1-13 of 13 (Search time: 0.003 seconds).

Issue DateTitleAuthor(s)
13-May-2012Non-linear Vibrational Modes in Biomolecules: a Periodic Orbits DescriptionFarantos, Stavros C. ; Kampanarakis, Alexandros ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Kampanarakis, Alexandros 
213-Apr-2012Exploring the topography of free energy surfaces and kinetics of cytochrome c oxidases interacting with small ligandsPorrini, Massimiliano ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Porrini, Massimiliano 
32012Tuning Heme Functionality: The Cases of Cytochrome c Oxidase and Myoglobin OxidationDaskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos 
42012Grid computing multiple shooting algorithms for extended phase space sampling and long time propagation in molecular dynamicsDaskalakis, Vangelis ; Giatromanolakis, Manos ; Porrini, Massimiliano ; Farantos, Stavros C. ; Gervasi, Osvaldo 
57-Apr-2011Regulation of electron and proton transfer by the protein matrix of cytochrome C oxidaseFarantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. 
6Jun-2010QM/MM Calculations on Cyto-chrome c Oxidase: Probing of electron and proton pump couplingDaskalakis, Vangelis ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos 
721-Jan-2010Vibrational resonances and Cu B displacement controlled by proton motion in cytochrome c oxidaseFarantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Vangelis 
83-Sep-2009Heme cavity dynamics of photodissociated CO from ba3-Cytochrome c oxidase : the role of ring-D propionatePorrini, Massimiliano ; Daskalakis, Vangelis ; Farantos, Stavros C. ; Varotsis, Constantinos 
9Jul-2009Towards the Understanding of His411-FeIV=O Spectroscopic Properties in Ferryl Intermediate of Cytochrome c Oxi-dase + O2 Reaction: A Theoretical QM/MM, MD ApproachDaskalakis, Vangelis ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos 
10Feb-2008The Study of cyto-chrome c Oxidase on the EGEE GridGervasi, Osvaldo ; Farantos, Stavros C. ; Daskalakis, Vangelis ; Giatromanolakis, Manos 
112008Assigning vibrational spectra of ferryl-oxo intermediates of cytochrome c oxidase by periodic orbits and molecular dynamicsFarantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Vangelis 
122007Protein dynamics and spectroscopy for ferryl intermediate of cytochrome c oxidase: a molecular dynamics approachFarantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Vangelis ; Farantos, Stavros C. 
132007EGEE: Applications in Classical and Quantum Molecular DynamicsDaskalakis, Vangelis ; Giatromanolakis, Manos ; Farantos, Stavros C. ; Gerbasi, Osvaldo