Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized born implicit-solvent model

Journal of Computational Chemistry

Volumn 32, Issue 11, 2011, Pages 2348-2358

  Wang, Yuhang ^a   Wallace, Jason A ^a   Koenig, Peter H ^b   Shen, Jana K ^a  

^a UNIVERSITY OF OKLAHOMA   (United States)

^b Procter and Gamble ^*  (United States)

Author keywords

generalized Born; hydrophobic forces; implicit solvent model; moleculardynamics; surfactant micelles

Indexed keywords

BORN RADII; COARSE GRAINED MODELS; CONFORMATIONAL BEHAVIOR; CONTINUUM DESCRIPTION; DETERGENT INDUSTRY; DODECYL SULFATE; GENERALIZED BORN; HYDROPHOBIC FORCES; IMPLICIT SOLVENTS; IMPLICIT-SOLVENT MODEL; MICELLE FORMATION; MOLECULAR DYNAMICS SIMULATIONS; NON-POLAR; NONIONIC; NONIONIC SURFACTANT MICELLES; POTENTIAL OF MEAN FORCE; RADIAL DISTRIBUTION FUNCTIONS; SOLVATION ENERGY; SOLVENT BASED; SURFACTANT MICELLES; SURFACTANT MONOMERS; TETRAMETHYLAMMONIUM;

ATOMS; BIOLOGICAL MEMBRANES; CYTOLOGY; DISTRIBUTION FUNCTIONS; ETHERS; HYDROPHOBICITY; MICELLES; MOLECULAR DYNAMICS; NONIONIC SURFACTANTS; SOLVATION; SOLVENTS;

COMPUTER SIMULATION;

EID: 79958817909     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21813     Document Type: Article

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