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Digitale Medien

Nonbonded interactions in membrane-active cyclic biopolymers. III. Analogs of valinomycin (1979)

Sundaram, K. ; Tyagi, R. S.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 15 (1979), S. 491-497

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: Several analogs of valinomycin have been simulated. These are analogs obtained by changing the configuration of the amino acid and hydroxy acid residues one at a time. Nonbonded interactions have been calculated for three conformations of each analog. The electrostatic and polarization contributions to the energy are conformation selective, whereas the Pauli repulsion is the only component which is isomer selective. For the ring chirality considered here the analog of valinomycin having all the three L-valyl residues replaced by D-valyl residues is predicted to be frozen in a “top open” conformation.

Zusätzliches Material: 3 Ill.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1002/qua.560150505

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