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Items: 1 to 20 of 23

1.
2.

Conformational change of a biomolecule studied by the weighted ensemble method: Use of the diffusion map method to extract reaction coordinates.

Fujisaki H, Moritsugu K, Mitsutake A, Suetani H.

J Chem Phys. 2018 Oct 7;149(13):134112. doi: 10.1063/1.5049420.

PMID:
30292230
3.

Energetics and conformational pathways of functional rotation in the multidrug transporter AcrB.

Matsunaga Y, Yamane T, Terada T, Moritsugu K, Fujisaki H, Murakami S, Ikeguchi M, Kidera A.

Elife. 2018 Mar 6;7. pii: e31715. doi: 10.7554/eLife.31715.

4.

Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A Review.

Fujisaki H, Moritsugu K, Matsunaga Y, Morishita T, Maragliano L.

Front Bioeng Biotechnol. 2015 Sep 3;3:125. doi: 10.3389/fbioe.2015.00125. eCollection 2015. Review.

5.

Reconstruction of semiautomated cardiac regions of interest using iodine-123 metaiodobenzylguanidine myocardial scintigraphy.

Nishimura Y, Fukuchi K, Katafuchi T, Fujisaki H, Kiso K, Ishida Y, Murase K.

Nucl Med Commun. 2014 Aug;35(8):849-56. doi: 10.1097/MNM.0000000000000128.

PMID:
24751705
6.

Multiscale enhanced path sampling based on the Onsager-Machlup action: application to a model polymer.

Fujisaki H, Shiga M, Moritsugu K, Kidera A.

J Chem Phys. 2013 Aug 7;139(5):054117. doi: 10.1063/1.4817209.

PMID:
23927253
7.

Minimum free energy path of ligand-induced transition in adenylate kinase.

Matsunaga Y, Fujisaki H, Terada T, Furuta T, Moritsugu K, Kidera A.

PLoS Comput Biol. 2012;8(6):e1002555. doi: 10.1371/journal.pcbi.1002555. Epub 2012 Jun 7.

8.

A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates.

Shiga M, Fujisaki H.

J Chem Phys. 2012 May 14;136(18):184103. doi: 10.1063/1.4709723.

PMID:
22583273
9.

Different inhibitory potency of febuxostat towards mammalian and bacterial xanthine oxidoreductases: insight from molecular dynamics.

Kikuchi H, Fujisaki H, Furuta T, Okamoto K, Leimk├╝hler S, Nishino T.

Sci Rep. 2012;2:331. doi: 10.1038/srep00331. Epub 2012 Mar 23.

10.

Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways.

Fujisaki H, Shiga M, Kidera A.

J Chem Phys. 2010 Apr 7;132(13):134101. doi: 10.1063/1.3372802.

PMID:
20387915
11.

Evaluation of utility of asymmetric index for count-based oxygen extraction fraction on dual-tracer autoradiographic method for chronic unilateral brain infarction.

Iwanishi K, Watabe H, Fujisaki H, Hayashi T, Miyake Y, Minato K, Naganuma M, Uehara T, Yokota C, Moriwaki H, Kajimoto K, Fukushima K, Minematsu K, Iida H.

Ann Nucl Med. 2009 Aug;23(6):533-9. doi: 10.1007/s12149-009-0272-2. Epub 2009 Jun 16.

PMID:
19529979
12.
13.
14.

Dynamic treatment of vibrational energy relaxation in a heterogeneous and fluctuating environment.

Fujisaki H, Stock G.

J Chem Phys. 2008 Oct 7;129(13):134110. doi: 10.1063/1.2985606.

PMID:
19045081
15.
16.

Analytic approach for controlling quantum states in complex systems.

Takami T, Fujisaki H.

Phys Rev E Stat Nonlin Soft Matter Phys. 2007 Mar;75(3 Pt 2):036219. Epub 2007 Mar 27.

PMID:
17500781
17.

Molecular dynamics study on the solvent dependent heme cooling following ligand photolysis in carbonmonoxy myoglobin.

Zhang Y, Fujisaki H, Straub JE.

J Phys Chem B. 2007 Mar 29;111(12):3243-50. Epub 2007 Mar 6.

PMID:
17388441
18.

Efforts toward developing direct probes of protein dynamics.

Cremeens ME, Fujisaki H, Zhang Y, Zimmermann J, Sagle LB, Matsuda S, Dawson PE, Straub JE, Romesberg FE.

J Am Chem Soc. 2006 May 10;128(18):6028-9.

PMID:
16669659
19.

Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins.

Fujisaki H, Zhang Y, Straub JE.

J Chem Phys. 2006 Apr 14;124(14):144910.

PMID:
16626248
20.

Dynamical aspects of quantum entanglement for weakly coupled kicked tops.

Fujisaki H, Miyadera T, Tanaka A.

Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Jun;67(6 Pt 2):066201. Epub 2003 Jun 2.

PMID:
16241320

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