Taiji M - Search Results

1

A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model.

Yamagishi J, Okimoto N, Morimoto G, Taiji M. Yamagishi J, et al. Among authors: taiji m. J Comput Chem. 2014 Nov 5;35(29):2132-9. doi: 10.1002/jcc.23728. Epub 2014 Sep 15. J Comput Chem. 2014. PMID: 25220475 Free PMC article.

2

Free-energy landscapes of protein domain movements upon ligand binding.

Kondo HX, Okimoto N, Morimoto G, Taiji M. Kondo HX, et al. Among authors: taiji m. J Phys Chem B. 2011 Jun 16;115(23):7629-36. doi: 10.1021/jp111902t. Epub 2011 May 24. J Phys Chem B. 2011. PMID: 21608983

3

Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method.

Otsuka T, Okimoto N, Taiji M. Otsuka T, et al. Among authors: taiji m. J Comput Chem. 2015 Nov 15;36(30):2209-18. doi: 10.1002/jcc.24055. Epub 2015 Sep 24. J Comput Chem. 2015. PMID: 26400829

4

High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations.

Okimoto N, Futatsugi N, Fuji H, Suenaga A, Morimoto G, Yanai R, Ohno Y, Narumi T, Taiji M. Okimoto N, et al. Among authors: taiji m. PLoS Comput Biol. 2009 Oct;5(10):e1000528. doi: 10.1371/journal.pcbi.1000528. Epub 2009 Oct 9. PLoS Comput Biol. 2009. PMID: 19816553 Free PMC article.

5

MDGRAPE-4: a special-purpose computer system for molecular dynamics simulations.

Ohmura I, Morimoto G, Ohno Y, Hasegawa A, Taiji M. Ohmura I, et al. Among authors: taiji m. Philos Trans A Math Phys Eng Sci. 2014 Aug 6;372(2021):20130387. doi: 10.1098/rsta.2013.0387. Philos Trans A Math Phys Eng Sci. 2014. PMID: 24982255 Free PMC article.

6

Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations.

Okimoto N, Suenaga A, Taiji M. Okimoto N, et al. Among authors: taiji m. J Biomol Struct Dyn. 2017 Nov;35(15):3221-3231. doi: 10.1080/07391102.2016.1251851. Epub 2016 Nov 7. J Biomol Struct Dyn. 2017. PMID: 27771988

7

Large-scale all-atom molecular dynamics alanine-scanning of IAPP octapeptides provides insights into the molecular determinants of amyloidogenicity.

Tambi R, Morimoto G, Kosuda S, Taiji M, Kuroda Y. Tambi R, et al. Among authors: taiji m. Sci Rep. 2019 Feb 21;9(1):2530. doi: 10.1038/s41598-018-38401-w. Sci Rep. 2019. PMID: 30792475 Free PMC article.

8

Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein-Ligand Binding Affinities: A Case Study Using Tankyrase 2 Inhibitors.

Okimoto N, Otsuka T, Hirano Y, Taiji M. Okimoto N, et al. Among authors: taiji m. ACS Omega. 2018 Apr 24;3(4):4475-4485. doi: 10.1021/acsomega.8b00175. eCollection 2018 Apr 30. ACS Omega. 2018. PMID: 31458673 Free PMC article.

9

Novel mechanism of interaction of p85 subunit of phosphatidylinositol 3-kinase and ErbB3 receptor-derived phosphotyrosyl peptides.

Suenaga A, Takada N, Hatakeyama M, Ichikawa M, Yu X, Tomii K, Okimoto N, Futatsugi N, Narumi T, Shirouzu M, Yokoyama S, Konagaya A, Taiji M. Suenaga A, et al. Among authors: taiji m. J Biol Chem. 2005 Jan 14;280(2):1321-6. doi: 10.1074/jbc.M410436200. Epub 2004 Nov 1. J Biol Chem. 2005. PMID: 15520002 Free article.

10

Ligand Diffusion on Protein Surface Observed in Molecular Dynamics Simulation.

Nerukh D, Okimoto N, Suenaga A, Taiji M. Nerukh D, et al. Among authors: taiji m. J Phys Chem Lett. 2012 Dec 6;3(23):3476-9. doi: 10.1021/jz301635h. Epub 2012 Nov 14. J Phys Chem Lett. 2012. PMID: 26290975

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

100 results

Search Page

Filters