Revised Implicit Solvent Model for the Simulation of Surfactants in Aqueous Solutions. 2. Modeling of Charged Headgroups at Oil−Water Interface

2007 ◽  
Vol 3 (3) ◽  
pp. 1163-1171 ◽  
Author(s):  
Shintaro Morisada ◽  
Hiroyuki Shinto ◽  
Ko Higashitani
Keyword(s):  
Aqueous Solutions ◽  
Implicit Solvent ◽  
Water Interface ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Oil Water

Revised Implicit Solvent Model for the Simulation of Surfactants in Aqueous Solutions

2005 ◽  
Vol 109 (23) ◽  
pp. 11762-11769 ◽  
Author(s):  
Shintaro Morisada ◽  
Hiroyuki Shinto ◽  
Ko Higashitani
Keyword(s):  
Aqueous Solutions ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model

Investigation of modified sodium alginate-Alkyl glycoside interactions in aqueous solutions and at the oil–water interface

RSC Advances ◽  
2016 ◽  
Vol 6 (56) ◽  
pp. 51068-51077 ◽  
Author(s):  
Junhao Huang ◽  
Jiacheng Li ◽  
Yuhong Feng ◽  
Fei Xiang ◽  
Rui Wang ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Sodium Alginate ◽  
Network Structure ◽  
Water Interface ◽  
Emulsion System ◽  
Alkyl Glycoside ◽  
Oil Water

For CSAD/DGP solution systems, the conformations of complexes change differently with the increase in DGP concentration. For the emulsion system, CSAD–DGP interaction can develop a network structure on the oil–water interface.

scholarly journals Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

2008 ◽  
Vol 4 (5) ◽  
pp. 855-868 ◽  
Author(s):  
Anthony K. Felts ◽  
Emilio Gallicchio ◽  
Dmitriy Chekmarev ◽  
Kristina A. Paris ◽  
Richard A. Friesner ◽  
...  
Keyword(s):  
Torsion Angle ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Loop Conformations
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