Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Sequence determines degree of knottedness in a coarse-grained protein
  model   Knots are abundant in globular homopolymers but rare in globular proteins. To
shed new light on this long-standing conundrum, we study the influence of
sequence on the formation of knots in proteins under native conditions within
the framework of the hydrophobic-polar (HP) lattice protein model. By employing
large scale Wang-Landau simulations combined with suitable Monte Carlo trial
moves we show that, even though knots are still abundant on average, sequence
introduces large variability in the degree of self-entanglements. Moreover, we
are able to design sequences which are either almost always or almost never
knotted. Our findings serve as proof of concept that the introduction of just
one additional degree of freedom per monomer (in our case sequence) facilitates
evolution towards a protein universe in which knots are rare.

13
The categories of this paper are: quant-ph
37
The categories of this paper are: supr-con
28
The categories of this paper are: alg-geom
9
The categories of this paper are: nlin
2
The categories of this paper are: math
26
The categories of this paper are: bayes-an
21
The categories of this paper are: adap-org
32
The categories of this paper are: atom-ph
27
The categories of this paper are: comp-gas
35
The categories of this paper are: mtrl-th
31
The categories of this paper are: ao-sci
5
The categories of this paper are: gr-qc
12
The categories of this paper are: nucl-th
30
The categories of this paper are: q-alg
3
The categories of this paper are: physics
19
The categories of this paper are: eess