Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: RNA unwinding from reweighted pulling simulations   The forming and melting of complementary base pairs in RNA duplexes are
conformational transitions required to accomplish a plethora of biological
functions. Yet the dynamic steps of these transitions have not been
quantitatively characterized at the molecular level. In this work, the base
opening process was first enforced by atomistic pulling simulations and then
analyzed with a novel reweighting scheme which allowed the free-energy profile
along any suitable reaction coordinate, e.g. solvation, to be reconstructed.
The systematic application of such approach to different base-pair combinations
provides a molecular motion picture of helix opening which is validated by
comparison with an extensive set of experimental observations and links them to
the enzyme-dependent unwinding mechanism. The RNA intrinsic dynamics disclosed
in this work could rationalize the directionality observed in RNA-processing
molecular machineries.

25
The categories of this paper are: patt-sol
24
The categories of this paper are: dg-ga
34
The categories of this paper are: chem-ph
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat
0
The categories of this paper are: hep-ph
19
The categories of this paper are: eess
31
The categories of this paper are: ao-sci
35
The categories of this paper are: mtrl-th
30
The categories of this paper are: q-alg
27
The categories of this paper are: comp-gas
12
The categories of this paper are: nucl-th
26
The categories of this paper are: bayes-an
23
The categories of this paper are: solv-int
7
The categories of this paper are: hep-th
9
The categories of this paper are: nlin