monte carlo algorithm for protein folding
Kevin Karplus
karplus at bray.cse.ucsc.edu
Mon Oct 27 13:50:49 EST 2003
In article <29b47968.0310211348.5fa4673d at posting.google.com>,
Tzuriel Cohen wrote:
> 1)does anyone know where i can get the algorithm of Monte Carlo for
> protein
> folding ??
> i need to write a program doing this on a lattice model.
"Protein folding" and "lattice model" are almost mutually contradictory.
Once you reduce yourself to a lattice model, you are no longer doing
anything very protein-like. Some biophysics people have used lattice
models to see what happens in simplified systems, since real proteins
are too complex, but their results can hardly be called protein folding.
A Monte Carlo algorithm is simply one in which randomness plays a
major role. There is no single "Monte Carlo" algorithm.
> 2)does any one know about a free website doing MonteCarlo simulation
> for protein folding on sequences ??
I don't know of any free Monte Carlo web services for proteins, as
Monte Carlo simulation is, by its very nature, rather compute
intensive.
--
Kevin Karplus karplus at soe.ucsc.edu http://www.soe.ucsc.edu/~karplus
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Professor of Computer Engineering, University of California, Santa Cruz
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