Browsing Τμήμα Φυσικής / Department of Physics by Subject "Hydrogen bonds"
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Article
A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions
(1996)Current strategies for analyzing donor-acceptor interactions involve mapping the dominant coupling pathways or families of pathways, followed by a numerical estimate of the interaction mediated by the paths. This strategy ...
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Article
Specific interactions of sodium salts with alanine dipeptide and tetrapeptide in water: Insights from molecular dynamicsAAA
(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 ...