Article ID Journal Published Year Pages File Type
5374191 Chemical Physics 2012 10 Pages PDF
Abstract
► EVB based free energy simulation of proton transfer in hydrophobic confinement. ► Aminoacid sidechain and OH group suspended within carbon nanotube act as reactants. ► Donors like His and Glu are efficient in confinement aided by local hydrogen bonds.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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