Journal of Chemical Theory and Computation,
Journal Year:
2024,
Volume and Issue:
20(2), P. 532 - 550
Published: Jan. 11, 2024
With
the
ongoing
development
of
peptide
self-assembling
materials,
there
is
growing
interest
in
exploring
novel
functional
sequences.
From
short
peptides
to
long
polypeptides,
as
functionality
increases,
sequence
space
also
expanding
exponentially.
Consequently,
attempting
explore
all
sequences
comprehensively
through
experience
and
experiments
alone
has
become
impractical.
By
utilizing
computational
methods,
especially
artificial
intelligence
enhanced
molecular
dynamics
(MD)
simulation
de
novo
design,
been
a
significant
expansion
exploration
space.
Through
these
variety
supramolecular
including
fibers,
two-dimensional
arrays,
nanocages,
etc.,
have
designed
by
meticulously
controlling
inter-
intramolecular
interactions.
In
this
review,
we
first
provide
brief
overview
current
main
methods
then
focus
on
design
for
various
self-assembled
materials.
Additionally,
introduce
some
representative
protein
self-assemblies
offer
guidance
peptides.
Frontiers in Molecular Biosciences,
Journal Year:
2023,
Volume and Issue:
10
Published: Aug. 7, 2023
Antibody-based
biotherapeutics
have
emerged
as
a
successful
class
of
pharmaceuticals
despite
significant
challenges
and
risks
to
their
discovery
development.
This
review
discusses
the
most
frequently
encountered
hurdles
in
research
development
(R&D)
antibody-based
proposes
conceptual
framework
called
biopharmaceutical
informatics.
Our
vision
advocates
for
syncretic
use
computation
experimentation
at
every
stage
biologic
drug
discovery,
considering
developability
(manufacturability,
safety,
efficacy,
pharmacology)
potential
candidates
from
earliest
stages
phase.
The
computational
advances
recent
years
allow
more
precise
formulation
disease
concepts,
rapid
identification,
validation
targets
suitable
therapeutic
intervention
that
can
agonize
or
antagonize
them.
Furthermore,
methods
Food Research International,
Journal Year:
2023,
Volume and Issue:
175, P. 113759 - 113759
Published: Nov. 25, 2023
Plant-based
proteins,
represented
by
amaranth
in
our
study,
embrace
a
potential
as
an
ingredient
for
the
functional-food
formulation.
However,
their
efficacy
is
hindered
inherent
limitations
solubility,
emulsification,
and
antioxidant
traits.
The
Maillard
reaction,
complex
chemical-process
resulting
diverse
array
of
products,
including
conjugates
reaction
products
(MRPs),
can
employ
variable
effects
on
these
specific
attributes.
To
elucidate
influence
this
MRPs
aforementioned
properties,
we
used
blend
dehydrated
seaweed
Gracilaria
protein
to
create
conjugate-MRP
blend.
Our
investigations
revealed
that
resultant
incorporation
enhanced
while
intermediates
formed
did
not
progress
advanced
glycation
stages.
This
change
likely
attributed
dual
effect
altered
secondary
structure,
generation
and/or
preservation
post
ultrasonication
spray
drying
its
potential.
Journal of Functional Biomaterials,
Journal Year:
2023,
Volume and Issue:
14(2), P. 64 - 64
Published: Jan. 25, 2023
Multidrug-resistant
bacteria
form
serious
problems
in
many
areas,
including
medicine
and
the
food
industry.
At
same
time,
great
interest
is
shown
transfer
or
enhancement
of
antimicrobial
properties
to
various
materials
by
modifying
them
with
enzymes.
The
use
enzymes
biomaterials
important
because
can
be
used
as
main
active
components
providing
functionalized
composite
biomaterials,
serve
enhancers
action
certain
substances
(antibiotics,
peptides,
metal
nanoparticles,
etc.)
against
cells
microorganisms.
Enzymes
simultaneously
widen
spectrum
activity
biomaterials.
This
review
presents
most
promising
recently
for
production
antibacterial
materials,
namely
hydrolases
oxidoreductases.
Computer
modeling
plays
an
role
finding
effective
combinations
between
compounds,
revealing
their
possible
interactions.
range
that
using
looks
diverse.
physicochemical
characteristics
functionalization
methods
have
a
significant
impact
on
In
this
context,
fibrous
are
particular
interest.
purpose
analyze
current
state
art
area.
ACS Macro Letters,
Journal Year:
2023,
Volume and Issue:
12(8), P. 1045 - 1051
Published: July 13, 2023
We
report
the
use
of
l-aspartic
acid
chiral
ionic
hydrogen
bonds
to
drive
liquid-liquid
phase
separation
(LLPS)
and
precision
two-dimensional
electrostatic
self-assembly
in
photo-RAFT
aqueous
polymerization-induced
(photo-PISA).
Homopolymerization
can
yield
salt-resistant,
3
nm
ultrafine
fibril-structured
5
ultrathin
lamellae
via
LLPS,
a
left-to-right-handed
chirality
transition,
droplets-to-lamellae
transition.
Like-charge
block
copolymerization
leads
supercharged
yet
identical
lamellae,
also,
left-to-right
transition
Ultrafine
structures
maintain
intactness
upon
seeded
polymerization
oppositely
charged
monomer.
This
work
demonstrates
that
amino
are
powerful
for
synthesis
salt-resistant
membrane
nanomaterials.
Journal of Chemical Theory and Computation,
Journal Year:
2024,
Volume and Issue:
20(2), P. 532 - 550
Published: Jan. 11, 2024
With
the
ongoing
development
of
peptide
self-assembling
materials,
there
is
growing
interest
in
exploring
novel
functional
sequences.
From
short
peptides
to
long
polypeptides,
as
functionality
increases,
sequence
space
also
expanding
exponentially.
Consequently,
attempting
explore
all
sequences
comprehensively
through
experience
and
experiments
alone
has
become
impractical.
By
utilizing
computational
methods,
especially
artificial
intelligence
enhanced
molecular
dynamics
(MD)
simulation
de
novo
design,
been
a
significant
expansion
exploration
space.
Through
these
variety
supramolecular
including
fibers,
two-dimensional
arrays,
nanocages,
etc.,
have
designed
by
meticulously
controlling
inter-
intramolecular
interactions.
In
this
review,
we
first
provide
brief
overview
current
main
methods
then
focus
on
design
for
various
self-assembled
materials.
Additionally,
introduce
some
representative
protein
self-assemblies
offer
guidance
peptides.
