Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 20 of 94

1.

Detection of molecular behavior that characterizes systems using a deep learning approach.

Endo K, Yuhara D, Tomobe K, Yasuoka K.

Nanoscale. 2019 May 28;11(20):10064-10071. doi: 10.1039/c9nr00219g. Epub 2019 May 15.

PMID:
31089600
2.

Molecular Dynamic Simulations to Probe Water Permeation Pathways of GPCRs.

Tomobe K, Yamamoto E, Yasuoka K.

Methods Mol Biol. 2019;1947:21-30. doi: 10.1007/978-1-4939-9121-1_2.

PMID:
30969409
3.

Cage occupancies, lattice constants, and guest chemical potentials for structure II hydrogen clathrate hydrate from Gibbs ensemble Monte Carlo simulations.

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

J Chem Phys. 2019 Apr 7;150(13):134503. doi: 10.1063/1.5084785.

PMID:
30954046
4.

Ordering in clusters of uniaxial anisotropic particles during homogeneous nucleation and growth.

Nozawa T, Brumby PE, Ayuba S, Yasuoka K.

J Chem Phys. 2019 Feb 7;150(5):054903. doi: 10.1063/1.5064410.

PMID:
30736692
5.

Effect of Central Longitudinal Dipole Interactions on Chiral Liquid-Crystal Phases.

Nozawa T, Brumby PE, Yasuoka K.

Int J Mol Sci. 2018 Sep 11;19(9). pii: E2715. doi: 10.3390/ijms19092715.

6.

A fast and accurate computational method for the linear-combination-based isotropic periodic sum.

Takahashi KZ, Nozawa T, Yasuoka K.

Sci Rep. 2018 Aug 8;8(1):11880. doi: 10.1038/s41598-018-30364-2.

7.

Kinetic analysis of homogeneous droplet nucleation using large-scale molecular dynamics simulations.

Ayuba S, Suh D, Nomura K, Ebisuzaki T, Yasuoka K.

J Chem Phys. 2018 Jul 28;149(4):044504. doi: 10.1063/1.5037647.

PMID:
30068205
8.

Molecular Dynamics Simulation of Ice Crystal Growth Inhibition by Hexadecyl-trimethyl-ammonium Bromide.

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

Langmuir. 2018 Aug 7;34(31):9330-9335. doi: 10.1021/acs.langmuir.8b01903. Epub 2018 Jul 26.

PMID:
29989825
9.

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
10.

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.

11.

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.

12.

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
13.

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
14.

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.

15.

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.

16.

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
17.

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
18.

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.

19.

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.

20.

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.

Supplemental Content

Loading ...
Support Center