Kitao A - Search Results

1

evERdock BAI: Machine-learning-guided selection of protein-protein complex structure.

Terayama K, Shinobu A, Tsuda K, Takemura K, Kitao A. Terayama K, et al. Among authors: kitao a. J Chem Phys. 2019 Dec 7;151(21):215104. doi: 10.1063/1.5129551. J Chem Phys. 2019. PMID: 31822094

2

Effects of water model and simulation box size on protein diffusional motions.

Takemura K, Kitao A. Takemura K, et al. Among authors: kitao a. J Phys Chem B. 2007 Oct 18;111(41):11870-2. doi: 10.1021/jp0756247. Epub 2007 Sep 21. J Phys Chem B. 2007. PMID: 17887670

3

Detecting coupled collective motions in protein by independent subspace analysis.

Sakuraba S, Joti Y, Kitao A. Sakuraba S, et al. Among authors: kitao a. J Chem Phys. 2010 Nov 14;133(18):185102. doi: 10.1063/1.3498745. J Chem Phys. 2010. PMID: 21073231

4

Transform and relax sampling for highly anisotropic systems: application to protein domain motion and folding.

Kitao A. Kitao A. J Chem Phys. 2011 Jul 28;135(4):045101. doi: 10.1063/1.3613676. J Chem Phys. 2011. PMID: 21806159

5

Water model tuning for improved reproduction of rotational diffusion and NMR spectral density.

Takemura K, Kitao A. Takemura K, et al. Among authors: kitao a. J Phys Chem B. 2012 Jun 7;116(22):6279-87. doi: 10.1021/jp301100g. Epub 2012 May 24. J Phys Chem B. 2012. PMID: 22587421

6

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation.

Takemura K, Guo H, Sakuraba S, Matubayasi N, Kitao A. Takemura K, et al. Among authors: kitao a. J Chem Phys. 2012 Dec 7;137(21):215105. doi: 10.1063/1.4768901. J Chem Phys. 2012. PMID: 23231264

7

A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method.

Ishikawa T, Burri RR, Kamatari YO, Sakuraba S, Matubayasi N, Kitao A, Kuwata K. Ishikawa T, et al. Among authors: kitao a. Phys Chem Chem Phys. 2013 Mar 14;15(10):3646-54. doi: 10.1039/c3cp42761g. Epub 2013 Feb 6. Phys Chem Chem Phys. 2013. PMID: 23386179

8

Parallel Cascade Selection Molecular Dynamics (PaCS-MD) to generate conformational transition pathway.

Harada R, Kitao A. Harada R, et al. Among authors: kitao a. J Chem Phys. 2013 Jul 21;139(3):035103. doi: 10.1063/1.4813023. J Chem Phys. 2013. PMID: 23883057

9

MuSTAR MD: multi-scale sampling using temperature accelerated and replica exchange molecular dynamics.

Yamamori Y, Kitao A. Yamamori Y, et al. Among authors: kitao a. J Chem Phys. 2013 Oct 14;139(14):145105. doi: 10.1063/1.4823743. J Chem Phys. 2013. PMID: 24116651

10

Mechanism of deep-sea fish α-actin pressure tolerance investigated by molecular dynamics simulations.

Wakai N, Takemura K, Morita T, Kitao A. Wakai N, et al. Among authors: kitao a. PLoS One. 2014 Jan 20;9(1):e85852. doi: 10.1371/journal.pone.0085852. eCollection 2014. PLoS One. 2014. PMID: 24465747 Free PMC article.

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