Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Protein folding using contact maps   We present the development of the idea to use dynamics in the space of
contact maps as a computational approach to the protein folding problem. We
first introduce two important technical ingredients, the reconstruction of a
three dimensional conformation from a contact map and the Monte Carlo dynamics
in contact map space. We then discuss two approximations to the free energy of
the contact maps and a method to derive energy parameters based on perceptron
learning. Finally we present results, first for predictions based on threading
and then for energy minimization of crambin and of a set of 6 immunoglobulins.
The main result is that we proved that the two simple approximations we studied
for the free energy are not suitable for protein folding. Perspectives are
discussed in the last section.

21
The categories of this paper are: adap-org
13
The categories of this paper are: quant-ph
33
The categories of this paper are: plasm-ph
36
The categories of this paper are: cmp-lg
24
The categories of this paper are: dg-ga
3
The categories of this paper are: physics
29
The categories of this paper are: funct-an
32
The categories of this paper are: atom-ph
28
The categories of this paper are: alg-geom
26
The categories of this paper are: bayes-an
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The categories of this paper are: comp-gas
17
The categories of this paper are: q-fin
6
The categories of this paper are: astro-ph
1
The categories of this paper are: cs
30
The categories of this paper are: q-alg
25
The categories of this paper are: patt-sol