We report results of a preliminary molecular dynamics study of a 1-palmitoyl-2-oleoylphosphatidyicholine (POPC) bilayer at low hydration (5% in weight). Our results suggest a gel phase structure where the oleic chain is bent recalling the crystalline oleic acid structure. We have also found a discontinuity in the volume/temperature curve which might be related to the gel to liquid crystal phase transition in POPC
molecular dynamics simulation of POPC at low hydration near the liquid crystal phase transition
CECCARELLI, MATTEO;
1998-01-01
Abstract
We report results of a preliminary molecular dynamics study of a 1-palmitoyl-2-oleoylphosphatidyicholine (POPC) bilayer at low hydration (5% in weight). Our results suggest a gel phase structure where the oleic chain is bent recalling the crystalline oleic acid structure. We have also found a discontinuity in the volume/temperature curve which might be related to the gel to liquid crystal phase transition in POPC
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