Browsing Τμήμα Χημείας / Department of Chemistry by Author "Ioannou, F."
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Article
Helix formation by alanine-based peptides in pure water and electrolyte solutions: Insights from molecular dynamics simulations
Ioannou, F.; Leontidis, Epameinondas; Archontis, Georgios Z. (2013)Specific ion effects on oligopeptide conformations in solution are attracting strong research attention, because of their impact on the protein-folding problem and on several important biological-biotechnological applications. ...
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Article
Specific interactions of sodium salts with alanine dipeptide and tetrapeptide in water: Insights from molecular dynamics
Ioannou, F.; Archontis, Georgios Z.; Leontidis, Epameinondas (2011)We examine computationally the dipeptide and tetrapeptide of alanine in pure water and solutions of sodium chloride (NaCl) and iodide (NaI), with salt concentrations up to 3 M. Enhanced sampling of the configuration space ...