Kazuhisa Nishizawa MD. PhD at NIK-Biomolecular Research Group
Research Fields:
Computational
Chemistry, Biophysics, Medical Chemistry, Clinical Chemistry, Immunobiology and Molecular Evolution.
Membership: Editor-in-Chief: Annals
of Biomedical Research (ABR)
Editor-in-Chief
: Journal of Biophysical Chemistry (JBPC)
Editorial
Board member of
Comput
and Math Methods in Medicine (CMMM),
BioMed
Research International,
What's New ---
Oct
2021: NIK Biomolecular Research Group was launched. Metadynamics simulation
analysis of viral peptides
Oct
2018: Simulations with united-atom
force fields (that represent CH2 as a single particle), such as GROMOS and OPLS/Berger,
show unrealistically weak dimerization propensity for Leu- and Ala-rich helical
peptides in DOPC bilayers ( ABR-1-112). For Ile and Val-rich peptides the UA
force fields show better agreement with all-atom models.
June
2018: Our 2018 papers ( ABR-1-105 and ABR-1-106 ) show that
raft-like bilayers stabilize helix dimer in a sequence-nonspecific manner via a
mechanism mediated by both electrostatic and Lennard-Jones energies in
simulations.
Sept
2017: Extended conformations of
acyl chains in raft-like bilayer increase those lipid atoms which
simultaneously contacts to both helical peptides placed in the dimeric state,
thereby stabilizing the dimeric state.
March,
2017: Cholesterol-
and saturated fatty acid chain-rich phospholipid membrane stabilizes the
dimerized state of transmembrane helical peptide in a sequence non-specific
manner in atomistic simulations
Jan, 2016,
onward: Computational measurement
of dimerization propensity of transmembrane helical peptide with sequence
(AALALAA)3 in a lipid bilayer membrane shows remarkable force
field-dependency. Please visit here.
Sept 8,
2015 Our paper on gating-modifier
peptide GsMTx4 is here.
Apr
-- , 2015. We measured the attraction
force between Leu-rich transmembrane helices
under
a couple of force fields..
July
6, 2014. Shown here is one of our Gromacs
.gro and .top files etc., that we used in our study of the potential of mean
force of transmembrane helices self-association (J Chem Phys 141: 075101
(2014)).
We
studied pore propensity in hemifusion systems using coarse-grained and
atomistic simulations.
Biophys J. (2013). 104:1038
“Nishizawa M and Nishizawa K. Coarse-grained
simulations
of branched
bilayer membranes: Effects of cholesterol-dependent phase separation
on curvature-driven lipid sorting J Biophys Chem vol 2 : 268-284 (2011)”
“Nishizawa M and Nishizawa K. Curvature-driven
lipid sorting: coarse-grained dynamics simulations of a membrane mimicking a
hemifusion intermediate.
J Biophys Chem vol1 (2):86-95 (2010)”
(Recommended
by Faculty 1000)
and
“Nishizawa M and Nishizawa K. Molecular
dynamics simulation analyses of viral fusion peptides in membranes prone to
phase transition : effects on membrane curvature, phase behavior and
lipid-water interface destabilization.(2010) J Biophys Chem vol 1 (1):19-32 “
Simulations of an integral Kv channel (Kv1.2/2.1 chimera) (Biophys
J , 2009 97:90-100).
Transmembrane electrostatic potential map sliced at the Ca of R3 of the S4 helix of the voltage sensor of Kv1.2 channel. Focused gradient is created by the
water filling the external and internal crevices of the voltage sensor
domain. Note that we applied an inward electric field to the system and
therefore the outer (upper) side of the membrane has more positive potential
than that of the inner side. For
calculation PMEpot and our own program was used. We show an example of transmembrane potential over
simulation time here. |
|
Sample movies for our paper Biophys J. 2008 95:1729-1744.
Movie1 (wmv format, 4.2MB, simulation#5 -0.15V/nm inward. S4helixの6Å以上の移動あり)
Movie1m (MPEG2 format, 10.5MB, simulation#5 )
Movie2 (wmv format, 4.2MB, simulation#10 0.1V/nm outward.)
Movie2m
(MPEG2 format, 8.5MB,
simulation#10)
Movie3 (wmv format, 5.1MB, simulation#11 0.2V/nm outward.)
Movie3m
(MPEG2 format, 10.2MB,
simulation#11)
movie6w (wmv format;5.8MB inward -0.15V/nm electric filed applied,
10ns. 350K)
movie6 (MPEG2 format;13.4MB same simulation as above 日本語解説、参考文献など含む)
movie7w (wmv format ;4.7MB inward -0.2V/nm electric filed applied,
10ns. 350K)
movie7 (MPEG2 format;13.4MB same
simulation as above 日本語の簡単な説明含む)
This figure is shown here. |
Index
Supplementary information
1
Supplementary information for indel-MCMC
--------simulation and MCMC based
sequence alignment approach
September 2001 onward
2
Code in C for indel-MCMC
(ver.2.0)
A sequence alignment method
taking into account slippage-type changes
February 2002,
Our
papers on this project: J
Mol Evol. 2002 ;55:706 J Mol Evol. 2005 Feb;60,274.
3 MD
simulation of HaTx1 and GsMTx4 in lipid membranes
June
2005 onward
Our papers: Eur Biophys J (2006) 35:
373-381.
Biophys J (2007) 92: 4233-4243
4 Prion and amyloid structure
prediction based on MD simulations
Jan 2006 onward