Re: CCL:Histogram method, redux (fwd)

[MVasquez -8 at 8- pdl.com (Max Vasquez)]

 stewart -8 at 8- uga.edu writes:
 >Here are some references to early papers describing the multicanonical
 >method:
 >  B. Berg and T. Neuhaus, Phys. Lett. B267, 249 (1991).
 >  B. Berg and T. Neuhaus, Phys. Rev. Lett. 68, 9 (1992).
 >  B. Berg, U. Hansmann and T. Neuhaus, Z. Phys. B90, 229 (1993).
 >  W. Janke, B. Berg and M. Katoot, Nucl. Phys. B382, 649 (1992).
 >There have been more recent papers, but these should be enough to give
 >you
 >a feel for the method and decide if it will meets your needs.
 Hansmann has applied the multicanonical method to study folding of
 atomistic models of relatively short peptides; see
 J. Phys. Chem. B 102, 653-656 (1998) for a recent reference, and J.
 Comp. Chem. 14, 1333-1338 (1993) for one of the first (if not *the*
 first) applications of multicanonical methods to protein/peptide
 folding.  The work of Hao and Scheraga with lattice models of proteins
 is also worth checking (note that they call the procedure "entropy
 sampling", but this is equivalent to multicanonical); see for example,
 J. Phys. Chem. 98, 4940-4948 (1994).
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 Max Vasquez
 Protein Design Labs, Inc.
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