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IPM
30
YEARS OLD

“School of Biological”

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Paper   IPM / Biological / 13138
School of Biological Sciences
  Title:   A Web-Based Graphical Interface To Build Heterogeneously Mixed Membrane Bilayers For The GROMACS Biomolecular Simulation Program.
  Author(s): 
1 . Mohammad Mehdi Ghahremanpour
2 . Seyed Shahriar Arab
3 . Saman Biook Aghazadeh
4 . Jin Zhang
5 . David van der Spoel
  Status:   Published
  Journal: BMC Bioinformatics
  Year:  2013
  Pages:   1-27
  Publisher(s):   Oxford Journals
  Supported by:  IPM
  Abstract:
Molecular dynamics (MD) simulations have had a profound impact on studies of membrane proteins during past two decades, but the accuracy of MD simulations of membranes is limited by the quality of membrane models and the applied force fields. Membrane models used in MD simulations mostly contain one kind of lipid molecule. This is far from reality, for biological membranes always contain more than one kind of lipid molecule. Moreover, the lipid composition and their distribution are functionally important. As a result, there is a necessity to prepare more realistic lipid membranes containing different types of lipids at physiological concentrations.

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