If you use any data obtained from Micelle Maker in your publication, please
cite:
Krüger, D. M., Kamerlin, S. C. L., Micelle Maker: An Online Tool for
Generating Equilibrated Micelles as Direct Input for Molecular Dynamics
Simulations, ACS Omega, 2017, 2 (8), pp 4524–4530, DOI:
10.1021/acsomega.7b00820.
[Reference]
Micelle Maker uses modules from the Amber Molecular Dynamics suite of
programs for minimization and equilibration.
D.A. Case, R.M. Betz, W. Botello-Smith, D.S. Cerutti, T.E. Cheatham, III,
T.A. Darden, R.E. Duke, T.J. Giese, H. Gohlke, A.W. Goetz, N. Homeyer, S.
Izadi, P. Janowski, J. Kaus, A. Kovalenko, T.S. Lee, S. LeGrand, P. Li, C.
Lin, T. Luchko, R. Luo, B. Madej, D. Mermelstein, K.M. Merz, G. Monard, H.
Nguyen, H.T. Nguyen, I. Omelyan, A. Onufriev, D.R. Roe, A. Roitberg, C.
Sagui, C.L. Simmerling, J. Swails, R.C. Walker, J. Wang, R.M. Wolf, X. Wu,
L. Xiao, D.M. York and P.A. Kollman (2017), AMBER 2017, University of
California, San Francisco.[Reference]
If you used any information about experimentally determined micelle characteristics from the help pages
to build your model, please cite the relevant reference(s).
Parameters for the lipid libraries were taken from
Abel, S., Dupradeau, F., Raman, E. P., MacKerellJr., A. D., Marchi, M., J. Phys. Chem. B, 2011, 115 (3), pp 487–499.
[Reference]