01831nas a2200229   4500008004100000022001400041245009800055210006900153260007900222300001200301490000800313520098400321653001801305653001801323653001801341653002801359100002501387700002201412700003001434700001501464856012201479       2016                        eng d  a0942-935200aStructural insight into self assembly of sophorolipids: a molecular dynamics simulation study0 aStructural insight into self assembly of sophorolipids a molecul  aGENTHINER STRASSE 13, D-10785 BERLIN, GERMANYbWALTER DE GRUYTER GMBHcMAY  a819-8360 v2303 a<p>Sophorolipids contain hydrophilic head groups at the ends of a long hydrophobic tail. As a result, sophorolipids can self assemble into variety of structures in water. Atomistic self assembly simulations of sophorolipids are performed in water. Two sophorolipids, oleic acid sophorolipid and linolenic acid sophorolipid, differing in number of double bonds in the hydrophobic tail are considered for this study. Long time self assembly simulations are performed considering 1 :3 lipid to water ratio by weight for both oleic and linolenic acid sophorolipids. In addition to 1 : 3 ratio, long time self assembly simulations are also performed with 1 : 1 and 1 : 2 ratios for linolenic acid sophorolipids. Distinctions in structural arrangements of sophorolipid molecules in the self assembled configuration for all the systems are investigated. The present study aims to provide structural insight into the different self assembled configurations of sophorolipids in water.</p>10aMD Simulation10aself assembly10asophorolipids10aUnited Atom Force Field1 aPandey, Prithvi, Raj1 aDhasaiyan, Prabhu1 aPrasad, Bhagavatula L. V.1 aRoy, Sudip  uhttps://library.ncl.res.in/content/structural-insight-self-assembly-sophorolipids-molecular-dynamics-simulation-study