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Quantum chemical studies on the conformational structure of bacterial peptidoglycan. II. PCILO calculations on the mono-saccharides

✍ Scribed by Janardan Singh Yadav; Gerhard Barnickel; Hans Bradaczek; Harald Labischinski


Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
901 KB
Volume
95
Category
Article
ISSN
0022-5193

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The conformational behaviour and the charge distribution of methylphosphorylcholine has been analyzed within the framework of the PCILO method including phosphorus-oxygen o-and 7r-bonds. In the global minimum of energy the -O-P-O-C-C chain has a (-synclinal, -synclinal, -syn/anticlinal, +anticlinal)

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✍ R. Virudachalam; V. S. R. Rao 📂 Article 📅 1979 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 795 KB

## Abstract Possible conformations of the disaccharide–peptide subunit of peptidoglycan (of __Staphylococcus aureus__ or __Micrococcus luteus__) have been studied by an energy‐minimization procedure. The favored conformation of the disaccharide __N__‐acetyl‐glucosaminyl‐β(1–4)‐__N__‐acetylmuramic a