par Brasseur, Robert ;Deleers, Michel
Référence Proceedings of the National Academy of Sciences of the United States of America, 81, 11, page (3370-3374)
Publication Publié, 1984-06
Article révisé par les pairs
Résumé : We present a computational description of the conformation of a pair of two isomeric molecules (6-cis-and 6-trans-leukotriene B4) forming a complex with one calcium ion. Our theoretical prediction of the membrane-water interface conformation and of the bulk lipid phase conformation of the two different isomeric complexes are in excellent agreement with experimental data on the leukotriene-mediated calcium ionophoresis in liposomes. The two isomers lead to vastly different conformations in the presence of Ca2+, and the most probable conformation of the permeant species shows a globular conformation able to cross a lipid membrane.