Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Using binding free energy to guide ligand design   The molecular distributions obtained from canonical Monte Carlo simulations
can be used to find an approximate interaction energy. This serves as the basis
of a method for estimating the binding free energy for a ligand to a protein
which enables the free energy to be used to direct the design of ligands which
bind to a protein with high affinity.

5
The categories of this paper are: gr-qc
24
The categories of this paper are: dg-ga
35
The categories of this paper are: mtrl-th
14
The categories of this paper are: math-ph
32
The categories of this paper are: atom-ph
0
The categories of this paper are: hep-ph
31
The categories of this paper are: ao-sci
15
The categories of this paper are: nucl-ex
20
The categories of this paper are: acc-phys
26
The categories of this paper are: bayes-an
29
The categories of this paper are: funct-an
30
The categories of this paper are: q-alg
11
The categories of this paper are: hep-lat
28
The categories of this paper are: alg-geom
12
The categories of this paper are: nucl-th
37
The categories of this paper are: supr-con