Subject: [email-masked]

From: "Michele Bigi" <[email-masked]>
Date: Thu, 8 May 1997 13:56:00 +0000

On Tue, 6 May 1997, Redime HADJI wrote:
> 
> 
> 	Hi,
> 
> I am looking for any information (references, reviews, methodology,
> etc.) about molecular dynamics simulations of MICELLE(S),
> conformational behaviour of peptides in micelles (in paticular in
> SDS micelles).
> 
> Any hints would be grately appreciated. I will summarize your
> answers.
> 
> Thank you very much in advance.
> 
> 		Redime HADJI-PFEFFER

A search oc Chemical Abstract (1996 and 1997 years) gave those 
results
124:212676
Molecular Dynamics Simulations of a Calcium Carbonate/Calcium
Sulfonate Reverse Micelle. Tobias, Douglas J.; Klein, Michael L. J
 .Phys. Chem., 100(16), 6637-48 1996

125:124424
Molecular Dynamics Simulation of a Micellar System:
2,3,6,7,10,11-Hexakis(1,4,7-trioxaoctyl)triphenylene in Water. Bast,
Tim; Hentschke, Reinhard Phys. Chem., 100(30),12162-12171  1996.  

125:197082
Aggregation processes in self-associating polymer systems. Computer
simulation study of micelles in the superstrong segregation regime.
Khalatur, Pavel G.; Khokhlov, Alexei R.; Nyrkova, Irina A.; Semenov,
Alexander N. Macromol. Theory Simul., 5(4), 713-747  1996. 

124:235566
Wormlike micelles under shear flow: a microscopic model studied by
nonequilibrium-molecular-dynamics computer simulations. Kroeger, M.;
Makhloufi, R. Phys. Rev. E:  Stat. Phys., Plasmas, Fluids, Relat.
Interdiscip. Top., 53(3), 2531-6 1996. 

125:152029
Investigation of molecular dynamics in water-surfactant-solid sorbent 
systems by low energy neutron scattering. Karmazina, T. V.; Slisenko,
V. I.; Mironyuk, A. G. Fiz.-Khim. Metody Issled. Strukt. Din. Mol.
Sist., Mater. Vseross. Soveshch., Volume 3, 128-131.  Edited by:
Gordeev, M. E.  Mariiskii Politekhnicheskii Institut im. A. M.
Gor'kogo: Ioshkar-Ola, Russia. (Russian) 1994.  

125:188794
Dynamics of spin-labeled a-chymotrypsin in reverse micelles of
differently charged surfactants. Caldarau, Horia; Timmins, Graham S.;
Davies, Michael J.; Gilbert, Bruce C. J. Chem. Soc., Faraday Trans.,
92(17), 3151-3155 1996.  

124:169103
Reorientational properties of fluorescent analogs of the protein
kinase C cofactors diacylglycerol and phorbol ester. Pap, Eward H. W.;
Ketelaars, Martijn; Borst, Jan Willem; van Hoek, Arie; Visser, Antonie
J. W. G. Biophys. Chem., 58(3), 255-66  1996.  

125:186047
An NMR, CD, molecular dynamics and fluorometric study of the
conformation of bradykinin antagonists B 9340, B 9430, B 9436 and B
9452 in water and in aqueous micellar solutions. Sejbal, Jan; Cann,
John R.; Stewart, John M.; Gera, Lajos; Kotovych, George
Immunopharmacology, 33, 198-200 1996.  

125:248951
Some ESR spin probe and spin label studies of polymer systems.
Wasserman, A. M.; Khazanovich, T. N.; Kasaikin, V. A. Appl. Magn.
Reson., 10(1-3), 413-429 1996. 

125:97105
Dynamical and structural properties of water/alcohol mixtures.
Onori, G.; Santucci, A.
Mol. Liq., 69, 161-181 1996.  

124:261680
An NMR, CD, Molecular Dynamics, and Fluorometric Study of the
Conformation of the Bradykinin Antagonist B-9340 in Water and in
Aqueous Micellar Solutions. Sejbal, Jan; Cann, John R.; Stewart, John
M.; Gera, Lajos; Kotovych, George Med. Chem., 39(6), 1281-92 1996. 

124:196780
Lipid Chain Dynamics and Molecular Location of Diacylglycerol in
Hydrated Binary Mixtures with Phosphatidylcholine: Spin Label ESR
Studies. Schorn, Karl; Marsh, Derek Biochemistry, 35(12), 3831-6 1996.

124:168759
Taming the Ewald sum in molecular dynamics simulations of solvated
proteins via a multiple time step algorithm. Procacci, Piero; Marchi,
Massimo J. Chem. Phys., 104(8), 3003-12 1996. 

124:80348
Restrained molecular dynamic study of the interaction between bovine
k-casein peptide 98-111 and bovine chymosin and porcine pepsin.
Plowman, Jeffrey E.; Creamer, Lawrence K. J. Dairy Res., 62(3), 451-67
1995. 

I hope that it will help,
Thanks
Michele U. Bigi
Michele U. Bigi
E-Mail: [email-masked]