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Nonbonded interactions in membrane‐active cyclic biopolymers. III. Analogs of valinomycin
Author(s) -
Sundaram K.,
Tyagi R. S.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560150505
Subject(s) - valinomycin , chemistry , stereochemistry , chirality (physics) , membrane , pauli exclusion principle , computational chemistry , biochemistry , chiral symmetry breaking , physics , condensed matter physics , quantum mechanics , nambu–jona lasinio model , quark
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.