Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Influence of pH and sequence in peptide aggregation via molecular
  simulation   We employ a recently developed coarse-grained model for peptides and proteins
where the effect of pH is automatically included. We explore the effect of pH
in the aggregation process of the amyloidogenic peptide KTVIIE and two related
sequences, using three different pH environments. Simulations using large
systems (24 peptides chains per box) allow us to correctly account for the
formation of realistic peptide aggregates. We evaluate the thermodynamic and
kinetic implications of changes in sequence and pH upon peptide aggregation,
and we discuss how a minimalistic coarse-grained model can account for these
details.

36
The categories of this paper are: cmp-lg
5
The categories of this paper are: gr-qc
35
The categories of this paper are: mtrl-th
21
The categories of this paper are: adap-org
13
The categories of this paper are: quant-ph
27
The categories of this paper are: comp-gas
9
The categories of this paper are: nlin
2
The categories of this paper are: math
30
The categories of this paper are: q-alg
24
The categories of this paper are: dg-ga
12
The categories of this paper are: nucl-th
7
The categories of this paper are: hep-th
32
The categories of this paper are: atom-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