A DFT study has been performed on monomers and dimers of new cyclic structures, cyclodioxabislactams, which are expected to bring about tubular structures through a stacking process settled by hydrogen-bonding between antiparallel peptidic groups. Different stacking modes have been found with significant effects on the energetics of the assembling process.
FFERRANTE, LA MANNA G (2004). A new suggested class of organic tubular structures. CHEMICAL PHYSICS LETTERS, 383(3-4), 376-379 [10.1016/j.cplett.2003.11.055].
A new suggested class of organic tubular structures
FERRANTE, Francesco;LA MANNA, Gianfranco
2004-01-01
Abstract
A DFT study has been performed on monomers and dimers of new cyclic structures, cyclodioxabislactams, which are expected to bring about tubular structures through a stacking process settled by hydrogen-bonding between antiparallel peptidic groups. Different stacking modes have been found with significant effects on the energetics of the assembling process.
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