Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2
  Spike Protein Through Molecular Dynamics Simulation   SARS-CoV-2 is what has caused the COVID-19 pandemic. Early viral infection is
mediated by the SARS-CoV-2 homo-trimeric Spike (S) protein with its receptor
binding domains (RBDs) in the receptor-accessible state. We performed molecular
dynamics simulation on the S protein with a focus on the function of its
N-terminal domains (NTDs). Our study reveals that the NTD acts as a "wedge" and
plays a crucial regulatory role in the conformational changes of the S protein.
The complete RBD structural transition is allowed only when the neighboring NTD
that typically prohibits the RBD's movements as a wedge detaches and swings
away. Based on this NTD "wedge" model, we propose that the NTD-RBD interface
should be a potential drug target.

31
The categories of this paper are: ao-sci
33
The categories of this paper are: plasm-ph
25
The categories of this paper are: patt-sol
22
The categories of this paper are: chao-dyn
27
The categories of this paper are: comp-gas
3
The categories of this paper are: physics
32
The categories of this paper are: atom-ph
15
The categories of this paper are: nucl-ex
13
The categories of this paper are: quant-ph
36
The categories of this paper are: cmp-lg
8
The categories of this paper are: hep-ex
23
The categories of this paper are: solv-int
35
The categories of this paper are: mtrl-th
2
The categories of this paper are: math
16
The categories of this paper are: stat
19
The categories of this paper are: eess