Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation

Chain conformation in polyretropeptides.

Chain conformation in polyretropeptides. II. Quantum mechanical and empirical force field calculations on 2,5,9,11-Tetraoxo-3,6,8,12-tetraza-tridecane, a model compound for the terpolymer of glycine and its retropeptides

✍ Carlos Alemán; Jordi Puiggalí 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 885 KB

A conformational study of the terpolymer of glycine and its retropeptides monomethylendiamine (gGly) and malonyl (mGly) with sequence: (-Gly-gGly-mGly-), is presented. First, we investigated the conformational preferences of the model molecule 2,5,9,11-tetraoxo-3,6,8,12-tetraza-tridecane using quant