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Items: 1 to 50 of 124

1.

Molecular Dynamics Simulation of Ice Crystal Growth Inhibition by CTAB.

Shimazu N, Takaiwa D, Suh D, Kawaguchi T, Fuse T, Kaneko T, Yasuoka K.

Langmuir. 2018 Jul 10. doi: 10.1021/acs.langmuir.8b01903. [Epub ahead of print]

PMID:
29989825
2.

Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations.

Yuhara D, Brumby PE, Wu DT, Sum AK, Yasuoka K.

J Chem Phys. 2018 May 14;148(18):184501. doi: 10.1063/1.5016609.

PMID:
29764125
3.

Phase behaviors of deeply supercooled bilayer water unseen in bulk water.

Kaneko T, Bai J, Akimoto T, Francisco JS, Yasuoka K, Zeng XC.

Proc Natl Acad Sci U S A. 2018 May 8;115(19):4839-4844. doi: 10.1073/pnas.1802342115. Epub 2018 Apr 24.

PMID:
29691325
4.

Critical test of isotropic periodic sum techniques with group-based cut-off schemes.

Nozawa T, Yasuoka K, Takahashi KZ.

Sci Rep. 2018 Mar 8;8(1):4185. doi: 10.1038/s41598-018-22514-3.

5.

Structural determinants in the bulk heterojunction.

Acocella A, Höfinger S, Haunschmid E, Pop SC, Narumi T, Yasuoka K, Yasui M, Zerbetto F.

Phys Chem Chem Phys. 2018 Feb 21;20(8):5708-5720. doi: 10.1039/c7cp08435h.

PMID:
29410990
6.

Detection of Anomalous Dynamics for a Single Water Molecule.

Tomobe K, Yasuoka K.

J Chem Theory Comput. 2018 Mar 13;14(3):1177-1185. doi: 10.1021/acs.jctc.7b01104. Epub 2018 Feb 14.

PMID:
29357244
7.

Origin of the blueshift of water molecules at interfaces of hydrophilic cyclic compounds.

Tomobe K, Yamamoto E, Kojić D, Sato Y, Yasui M, Yasuoka K.

Sci Adv. 2017 Dec 22;3(12):e1701400. doi: 10.1126/sciadv.1701400. eCollection 2017 Dec.

8.

Cytological features in eight patients with ALK-rearranged lung cancer.

Kuroda N, Ohara M, Wada Y, Yasuoka K, Mizuno K, Yorita K, Obayashi C, Takeuchi K.

Diagn Cytopathol. 2018 Jun;46(6):516-519. doi: 10.1002/dc.23879. Epub 2017 Dec 27.

PMID:
29280331
9.

Cytological findings of ROS1-rearranged lung adenocarcinoma.

Kuroda N, Tamiya H, Nakatani K, Ide H, Wada Y, Yasuoka K, Ohara M, Mizuno K, Yorita K, Takeuchi K.

Diagn Cytopathol. 2018 Apr;46(4):336-339. doi: 10.1002/dc.23845. Epub 2017 Oct 27.

PMID:
29076659
10.

Onset of static and dynamic universality among molecular models of polymers.

Takahashi KZ, Nishimura R, Yamato N, Yasuoka K, Masubuchi Y.

Sci Rep. 2017 Sep 28;7(1):12379. doi: 10.1038/s41598-017-08501-0.

11.

Molecular Dynamics Simulation of Water Nanodroplet Bounce Back from Flat and Nanopillared Surface.

Koishi T, Yasuoka K, Zeng XC.

Langmuir. 2017 Oct 3;33(39):10184-10192. doi: 10.1021/acs.langmuir.7b02149. Epub 2017 Sep 20.

PMID:
28876073
12.

Early Mortality and Morbidity in Infants with Birth Weight of 500 Grams or Less in Japan.

Inoue H, Ochiai M, Yasuoka K, Tanaka K, Kurata H, Fujiyoshi J, Matsushita Y, Suga S, Nonaka K, Taguchi T, Kato K, Ohga S; Neonatal Research Network of Japan (NRNJ).

J Pediatr. 2017 Nov;190:112-117.e3. doi: 10.1016/j.jpeds.2017.05.017. Epub 2017 Jun 1.

13.

Effects of temperature, concentration, and isomer on the hydration structure in monosaccharide solutions.

Tomobe K, Yamamoto E, Yasui M, Yasuoka K.

Phys Chem Chem Phys. 2017 Jun 14;19(23):15239-15246. doi: 10.1039/c7cp02392h.

PMID:
28569306
14.

Successful Liver Transplantation for Transient Abnormal Myelopoiesis-Associated Liver Failure.

Yasuoka K, Inoue H, Tanaka K, Fujiyoshi J, Matsushita Y, Ochiai M, Koga Y, Matsuura T, Taguchi T, Ohga S.

Neonatology. 2017;112(2):159-162. doi: 10.1159/000474930. Epub 2017 May 31.

PMID:
28558383
15.

Water permeation through the internal water pathway in activated GPCR rhodopsin.

Tomobe K, Yamamoto E, Kholmurodov K, Yasuoka K.

PLoS One. 2017 May 11;12(5):e0176876. doi: 10.1371/journal.pone.0176876. eCollection 2017.

16.

Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube.

Nomura K, Kaneko T, Bai J, Francisco JS, Yasuoka K, Zeng XC.

Proc Natl Acad Sci U S A. 2017 Apr 18;114(16):4066-4071. doi: 10.1073/pnas.1701609114. Epub 2017 Apr 3.

17.

Dynamic interactions between a membrane binding protein and lipids induce fluctuating diffusivity.

Yamamoto E, Akimoto T, Kalli AC, Yasuoka K, Sansom MS.

Sci Adv. 2017 Jan 20;3(1):e1601871. doi: 10.1126/sciadv.1601871. eCollection 2017 Jan.

18.

Separation of water-ethanol solutions with carbon nanotubes and electric fields.

Winarto, Takaiwa D, Yamamoto E, Yasuoka K.

Phys Chem Chem Phys. 2016 Dec 7;18(48):33310-33319.

PMID:
27897278
19.

Self-Assembly of Janus Oligomers into Onion-like Vesicles with Layer-by-Layer Water Discharging Capability: A Minimalist Model.

Arai N, Yasuoka K, Zeng XC.

ACS Nano. 2016 Aug 23;10(8):8026-37. doi: 10.1021/acsnano.6b04087. Epub 2016 Aug 1.

PMID:
27466700
20.

Interactions of Pleckstrin Homology Domains with Membranes: Adding Back the Bilayer via High-Throughput Molecular Dynamics.

Yamamoto E, Kalli AC, Yasuoka K, Sansom MSP.

Structure. 2016 Aug 2;24(8):1421-1431. doi: 10.1016/j.str.2016.06.002. Epub 2016 Jul 14.

21.

Self-assembly behaviours of primitive and modern lipid membrane solutions: a coarse-grained molecular simulation study.

Arai N, Yoshimoto Y, Yasuoka K, Ebisuzaki T.

Phys Chem Chem Phys. 2016 Jul 28;18(28):19426-32. doi: 10.1039/c6cp02380k. Epub 2016 Jul 5.

PMID:
27378100
22.

Condensation on nanorods by molecular dynamics.

Suh D, Yasuoka K.

J Chem Phys. 2016 Jun 28;144(24):244702. doi: 10.1063/1.4954240.

PMID:
27369528
23.

Anomalous Dynamics of a Lipid Recognition Protein on a Membrane Surface.

Yamamoto E, Kalli AC, Akimoto T, Yasuoka K, Sansom MS.

Sci Rep. 2015 Dec 14;5:18245. doi: 10.1038/srep18245.

24.

Approaches for Controlling the Temperature and Pressure Range in Generalized NPT Ensembles.

Doi H, Yasuoka K.

J Chem Theory Comput. 2015 Sep 8;11(9):4370-6. doi: 10.1021/acs.jctc.5b00195. Epub 2015 Aug 11.

PMID:
26575930
25.

Comparison of the accuracy of periodic reaction field methods in molecular dynamics simulations of a model liquid crystal system.

Nozawa T, Takahashi KZ, Narumi T, Yasuoka K.

J Comput Chem. 2015 Dec 15;36(32):2406-11. doi: 10.1002/jcc.24222. Epub 2015 Nov 3.

PMID:
26525311
26.

Water–methanol separation with carbon nanotubes and electric fields.

Winarto, Takaiwa D, Yamamoto E, Yasuoka K.

Nanoscale. 2015 Aug 7;7(29):12659-65.

PMID:
26397004
27.

A molecular dynamics study of guest-host hydrogen bonding in alcohol clathrate hydrates.

Hiratsuka M, Ohmura R, Sum AK, Alavi S, Yasuoka K.

Phys Chem Chem Phys. 2015 May 21;17(19):12639-47. doi: 10.1039/c4cp05732e.

PMID:
25905113
28.

Nucleation rate analysis of methane hydrate from molecular dynamics simulations.

Yuhara D, Barnes BC, Suh D, Knott BC, Beckham GT, Yasuoka K, Wu DT, Sum AK.

Faraday Discuss. 2015;179:463-74. doi: 10.1039/c4fd00219a. Epub 2015 Apr 16.

PMID:
25876773
29.

Structures of water molecules in carbon nanotubes under electric fields.

Winarto, Takaiwa D, Yamamoto E, Yasuoka K.

J Chem Phys. 2015 Mar 28;142(12):124701. doi: 10.1063/1.4914462.

PMID:
25833597
30.

[Development of a novel oral jelly formulation for elderly patients].

Harada T, Yasuoka K, Sakurai M, Murase T, Owaki T.

Yakugaku Zasshi. 2015;135(2):249-54. doi: 10.1248/yakushi.14-00228-5. Review. Japanese.

31.

Origin of 1/f noise in hydration dynamics on lipid membrane surfaces.

Yamamoto E, Akimoto T, Yasui M, Yasuoka K.

Sci Rep. 2015 Mar 6;5:8876. doi: 10.1038/srep08876.

32.

1/ f Fluctuations of amino acids regulate water transportation in aquaporin 1.

Yamamoto E, Akimoto T, Hirano Y, Yasui M, Yasuoka K.

Phys Rev E Stat Nonlin Soft Matter Phys. 2014 Feb;89(2):022718. Epub 2014 Feb 21.

PMID:
25353519
33.

Water confined in the local field of ions.

Kojić D, Tsenkova R, Tomobe K, Yasuoka K, Yasui M.

Chemphyschem. 2014 Dec 15;15(18):4077-86. doi: 10.1002/cphc.201402381. Epub 2014 Oct 5.

PMID:
25284338
34.

Observation of interstitial molecular hydrogen in clathrate hydrates.

Grim RG, Barnes BC, Lafond PG, Kockelmann WA, Keen DA, Soper AK, Hiratsuka M, Yasuoka K, Koh CA, Sum AK.

Angew Chem Int Ed Engl. 2014 Sep 26;53(40):10710-3. doi: 10.1002/anie.201406546. Epub 2014 Aug 19.

PMID:
25139731
35.

RBE and OER within the spread-out Bragg peak for proton beam therapy: in vitro study at the Proton Medical Research Center at the University of Tsukuba.

Kanemoto A, Hirayama R, Moritake T, Furusawa Y, Sun L, Sakae T, Kuno A, Terunuma T, Yasuoka K, Mori Y, Tsuboi K, Sakurai H.

J Radiat Res. 2014 Sep;55(5):1028-32. doi: 10.1093/jrr/rru043. Epub 2014 May 29.

36.

Liquid-solid and solid-solid phase transition of monolayer water: high-density rhombic monolayer ice.

Kaneko T, Bai J, Yasuoka K, Mitsutake A, Zeng XC.

J Chem Phys. 2014 May 14;140(18):184507. doi: 10.1063/1.4874696.

PMID:
24832288
37.

Origin of subdiffusion of water molecules on cell membrane surfaces.

Yamamoto E, Akimoto T, Yasui M, Yasuoka K.

Sci Rep. 2014 Apr 17;4:4720. doi: 10.1038/srep04720.

38.

Poisson property of the occurrence of flip-flops in a model membrane.

Arai N, Akimoto T, Yamamoto E, Yasui M, Yasuoka K.

J Chem Phys. 2014 Feb 14;140(6):064901. doi: 10.1063/1.4863330.

PMID:
24527934
39.

Common force field thermodynamics of cholesterol.

Giangreco F, Yamamoto E, Hirano Y, Hodoscek M, Knecht V, di Giosia M, Calvaresi M, Zerbetto F, Yasuoka K, Narumi T, Yasui M, Höfinger S.

ScientificWorldJournal. 2013 Nov 5;2013:207287. doi: 10.1155/2013/207287. eCollection 2013.

40.

Structural and diffusion properties of formamide/water mixture interacting with TiO2 surface.

Dushanov E, Kholmurodov Kh, Yasuoka K.

Bioorg Chem. 2013 Oct;50:11-6. doi: 10.1016/j.bioorg.2013.07.002. Epub 2013 Jul 23.

PMID:
23933355
41.

New Computational Approach to Determine Liquid-Solid Phase Equilibria of Water Confined to Slit Nanopores.

Kaneko T, Bai J, Yasuoka K, Mitsutake A, Zeng XC.

J Chem Theory Comput. 2013 Aug 13;9(8):3299-310. doi: 10.1021/ct400221h. Epub 2013 Jul 3.

PMID:
26584089
42.

A vesicle cell under collision with a Janus or homogeneous nanoparticle: translocation dynamics and late-stage morphology.

Arai N, Yasuoka K, Zeng XC.

Nanoscale. 2013 Oct 7;5(19):9089-100. doi: 10.1039/c3nr02024j. Epub 2013 Aug 1.

PMID:
23904003
43.

Homogeneous connectivity of potential energy network in a solidlike state of water cluster.

Akimoto T, Kaneko T, Yasuoka K, Zeng XC.

J Chem Phys. 2013 Jun 28;138(24):244301. doi: 10.1063/1.4811289.

PMID:
23822238
44.

Activation Energy Calculations for Formamide-TiO2 and Formamide-Pt Interactions in the Presence of Water.

Dushanov E, Kholmurodov Kh, Yasuoka K.

Open Biochem J. 2013 Mar 22;7:33-43. doi: 10.2174/1874091X01307010033. Print 2013.

45.

Power-law trapping of water molecules on the lipid-membrane surface induces water retardation.

Yamamoto E, Akimoto T, Hirano Y, Yasui M, Yasuoka K.

Phys Rev E Stat Nonlin Soft Matter Phys. 2013 May;87(5):052715. Epub 2013 May 28.

PMID:
23767574
46.

Molecular Insight into Different Denaturing Efficiency of Urea, Guanidinium, and Methanol: A Comparative Simulation Study.

Koishi T, Yasuoka K, Willow SY, Fujikawa S, Zeng XC.

J Chem Theory Comput. 2013 Jun 11;9(6):2540-51. doi: 10.1021/ct3010968. Epub 2013 May 6.

PMID:
26583851
47.

Understanding molecular motor walking along a microtubule: a themosensitive asymmetric Brownian motor driven by bubble formation.

Arai N, Yasuoka K, Koishi T, Ebisuzaki T, Zeng XC.

J Am Chem Soc. 2013 Jun 12;135(23):8616-24. doi: 10.1021/ja402014u. Epub 2013 May 30.

PMID:
23721590
48.

Water proton configurations in structures I, II, and H clathrate hydrate unit cells.

Takeuchi F, Hiratsuka M, Ohmura R, Alavi S, Sum AK, Yasuoka K.

J Chem Phys. 2013 Mar 28;138(12):124504. doi: 10.1063/1.4795499.

PMID:
23556733
49.

An Improved Isotropic Periodic Sum Method That Uses Linear Combinations of Basis Potentials.

Takahashi KZ, Narumi T, Suh D, Yasuoka K.

J Chem Theory Comput. 2012 Nov 13;8(11):4503-16. doi: 10.1021/ct3003805. Epub 2012 Sep 27.

PMID:
26605610
50.

Nanoparticle growth analysis by molecular dynamics: cubic seed.

Suh D, Yasuoka K.

J Phys Chem B. 2012 Dec 20;116(50):14637-49. doi: 10.1021/jp3044658. Epub 2012 Dec 5.

PMID:
23134412

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