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Conformation, orientation and dynamics of dodecylphosphocholine in micellar aggregate: A 3.2 ns molecular dynamics simulation study

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Title Conformation, orientation and dynamics of dodecylphosphocholine in micellar aggregate: A 3.2 ns molecular dynamics simulation study
 
Creator Vasudevan, Sheeja V
Balaji, Petety V
 
Description 87-92
A dodecylphosphocholine micelle of 86
monomers with 5776 water molecules has been simulated under NPT conditions for 3.2
ns using GROMACS2.0. The micelle was found to be very dynamic. Some of the C-C
bonds, independent of their position in the DPC monomer, adopt gauche conformation
and the trans ↔ gauche transitions are quite frequent. An average
of about 11 % of the C-C bonds in the micelle are observed to be in the gauche
conformation (i.e., |dihedral angle|
 
Date 2013-07-15T06:57:02Z
2013-07-15T06:57:02Z
2002-04
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://hdl.handle.net/123456789/19756
 
Language en_US
 
Rights CC Attribution-Noncommercial-No Derivative Works 2.5 India
 
Publisher NISCAIR-CSIR, India
 
Source IJBB Vol.39(2) [April 2002]