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

@inproceedings{Yadav1982QuantumCS,
  title={Quantum chemical studies on the conformational structure of bacterial peptidoglycan. II. PCILO calculations on the mono-saccharides},
  author={Janardan Singh Yadav and Gerhard Barnickel and Hans Bradaczek and Harald Prof Dipl Labischinski},
  year={1982}
}
Abstract Conformational energy calculations were performed on mono-saccharides of the glycan moiety of bacterial peptidoglycan using PCILO semiempirical quantum chemical method to re-examine the preferred conformations of these molecules so far reported in the empirical studies. The PCILO dihedral angles for some side groups are different from those found in MNDO studies. However, in almost every case the PCILO and empirical calculations suggest the same orientations for the different side… CONTINUE READING

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