Kingfisher: An open‐sourced web‐based platform for the analysis of hydrogen exchange mass spectrometry data
Protein Science,
Journal Year:
2025,
Volume and Issue:
34(4)
Published: March 18, 2025
Abstract
Hydrogen–deuterium
exchange
mass
spectrometry
(HDX‐MS)
is
now
a
critical
tool
in
molecular
biology
and
structural
proteomics.
It
routinely
used
to
probe
protein
conformational
dynamics
through
well‐established
experiment
where
amide
hydrogens
with
deuterium
atoms
buffer
containing
D
2
O.
Although
there
have
been
numerous
advances
the
field,
data
analysis
still
poses
challenges
mainly
due
need
for
manual
curation
of
lack
standardized
statistics
accessible
software.
In
response,
we
developed
Kingfisher,
an
open‐source,
user‐friendly,
web‐based
solution
that
facilitates
downstream
using
provides
advanced
high‐resolution
representations
HDX
results.
Kingfisher
able
read
directly
as
exported
from
common
software
packages
usually
takes
less
than
minute
run
analysis,
without
download
raw
code
or
install
any
We
foresee
valuable
both
newcomers
experts
field
Hydrogen
Exchange
Mass
Spectrometry.
available
all
users
interactive
web
application
at
https://kingfisher.wustl.edu/
.
Language: Английский
A framework for automated multimodal HDX-MS analysis
bioRxiv (Cold Spring Harbor Laboratory),
Journal Year:
2025,
Volume and Issue:
unknown
Published: March 15, 2025
ABSTRACT
We
present
pyHXExpress,
a
customizable
codebase
for
automated
high-throughput
multimodal
analysis
of
all
spectra
generated
from
HDX-MS
experiments.
The
workflow
was
validated
against
synthetic
test
dataset
to
the
fitting
algorithms
and
confirm
statistical
outputs.
further
establish
framework
determination
multimodality
throughout
protein
system
by
rigorous
evaluation
fits
across
peptide
spectra.
demonstrate
this
approach
using
entire
datasets
detect
multimodality,
conformational
heterogeneity,
characterize
dynamics
small
heat
shock
HSPB5
two
disease
mutants.
Language: Английский