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Predictive modelling of angiotensin converting enzyme inhibitory dipeptides

Norris, Roseanne ; Casey, Fergal ; FitzGerald, Richard ; Shields, Denis C. ; Mooney, Catherine (Elsevier, 2012-08-14)

The ability of docking to predict angiotensin converting enzyme (ACE) inhibitory dipeptide sequences was assessed using AutoDock Vina. All potential dipeptides and phospho-dipeptides were docked and scored. Peptide intestinal ...
Synthesis of a conformationally constrained delta-amino acid building block

O'Reilly, Elaine ; Pes, Lara ; Ortin, Yannick ; Mueller-Bunz, Helge ; Paradisi, Francesca (Springer, 2013-02)

Conformationally restricted amino acids are important components in peptidomimetics and drug design. Herein, we describe the synthesis of a novel, non-proteinogenic constrained delta amino acid containing a cyclobutane ...
Protein structural motif prediction in multidimensional φ-ψ space leads to improved secondary structure prediction

Mooney, Catherine ; Vullo, Alessandro ; Pollastri, Gianluca (Mary Ann Liebert, 2006-10-24)

A significant step towards establishing the structure and function of a protein is the prediction of the local conformation of the polypeptide chain. In this article, we present systems for the prediction of three new ...

Now showing items 1-3 of 3