Full cover from Science Vol. 321, no. 5890, 8 August 2008. Reprinted with permission from AAAS.
* New articles
+ Coarse grained model (ionic surfactants)
+Free Energy Calculation for Vesicle-to-Bicelle Transformation
Front cover from PCCP Vol. 9 No. 5, 7 Feb. 2007.
since May 2004
Last updated: July 19, 2013
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We are developping a coarse-grained molecular force field for surfactants and lipids using multi-property fitting as well as distribution functions obtained from all atomic molecular dynamics trajectories. Now the force field for PEG surfactants is available. (See Mol. Simul. 2007, Soft Matter 2008, J. Phys. Chem. B 2010, Soft Matter 2011) Also we are developing CG force field for peptides and RNAs.
The MPDyn software is a software package for molecular simulations of various complex materials including polymers, proteins, lipid membranes and so on. Efficient and accurate algorithms are implemented in the program. MPDyn is free software, available under the GNU General Public License.
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