Browsing by Author Farantos, Stavros C.

Showing results 1 to 12 of 12
Issue DateTitleAuthor(s)
2008Assigning vibrational spectra of ferryl-oxo intermediates of cytochrome c oxidase by periodic orbits and molecular dynamicsFarantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Evangelos ; Farantos, Stavros C. 
2007EGEE: Applications in Classical and Quantum Molecular DynamicsDaskalakis, Evangelos ; Giatromanolakis, Manos ; Farantos, Stavros C. ; Gerbasi, Osvaldo 
2012Exploring the topography of free energy surfaces and kinetics of cytochrome c oxidases interacting with small ligandsPorrini, Massimiliano ; Farantos, Stavros C. ; Daskalakis, Evangelos ; Porrini, Massimiliano 
2012Grid computing multiple shooting algorithms for extended phase space sampling and long time propagation in molecular dynamicsDaskalakis, Evangelos ; Giatromanolakis, Manos ; Porrini, Massimiliano ; Farantos, Stavros C. ; Gervasi, Osvaldo 
2012Non-linear vibrational modes in biomolecules : a periodic orbits descriptionFarantos, Stavros C. ; Kampanarakis, Alexandros ; Varotsis, Constantinos ; Daskalakis, Evangelos ; Farantos, Stavros C. ; Kampanarakis, Alexandros 
2007Protein dynamics and spectroscopy for ferryl intermediate of cytochrome c oxidase: a molecular dynamics approachFarantos, Stavros C. ; Varotsis, Constantinos ; Daskalakis, Evangelos ; Farantos, Stavros C. 
Jun-2010QM/MM Calculations on Cyto-chrome c Oxidase: Probing of electron and proton pump couplingDaskalakis, Evangelos ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos 
2011Regulation of electron and proton transfer by the protein matrix of cytochrome C oxidaseFarantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Evangelos ; Farantos, Stavros C. 
Feb-2008The Study of cyto-chrome c Oxidase on the EGEE GridGervasi, Osvaldo ; Farantos, Stavros C. ; Δασκαλάκης, Ευάγγελος ; Giatromanolakis, Manos 
Jul-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, Evangelos ; Farantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos 
2012Tuning Heme Functionality: The Cases of Cytochrome c Oxidase and Myoglobin OxidationDaskalakis, Evangelos ; Farantos, Stavros C. ; Varotsis, Constantinos 
2010Vibrational resonances and Cu B displacement controlled by proton motion in cytochrome c oxidaseFarantos, Stavros C. ; Guallar, Victor ; Varotsis, Constantinos ; Daskalakis, Evangelos