Maruyama Y - Search Results

1

A reference-modified density functional theory: An application to solvation free-energy calculations for a Lennard-Jones solution.

Sumi T, Maruyama Y, Mitsutake A, Koga K. Sumi T, et al. Among authors: maruyama y. J Chem Phys. 2016 Jun 14;144(22):224104. doi: 10.1063/1.4953191. J Chem Phys. 2016. PMID: 27305993

2

A solvation-free-energy functional: a reference-modified density functional formulation.

Sumi T, Mitsutake A, Maruyama Y. Sumi T, et al. Among authors: maruyama y. J Comput Chem. 2015 Jul 5;36(18):1359-69. doi: 10.1002/jcc.23942. Epub 2015 May 31. J Comput Chem. 2015. PMID: 26032201

3

Erratum: "A solvation-free-energy functional: A reference-modified density functional formulation" [J. Comput. Chem. 2015, 36, 1359-1369].

Sumi T, Mitsutake A, Maruyama Y. Sumi T, et al. Among authors: maruyama y. J Comput Chem. 2015 Oct 5;36(26):2009-11. doi: 10.1002/jcc.24035. Epub 2015 Jul 31. J Comput Chem. 2015. PMID: 26339760 No abstract available.

4

Stability of Unfolded and Folded Protein Structures Using a 3D-RISM with the RMDFT.

Maruyama Y, Mitsutake A. Maruyama Y, et al. J Phys Chem B. 2017 Oct 26;121(42):9881-9885. doi: 10.1021/acs.jpcb.7b08487. Epub 2017 Oct 17. J Phys Chem B. 2017. PMID: 28969418

5

Application of reference-modified density functional theory: Temperature and pressure dependences of solvation free energy.

Sumi T, Maruyama Y, Mitsutake A, Mochizuki K, Koga K. Sumi T, et al. Among authors: maruyama y. J Comput Chem. 2018 Feb 5;39(4):202-217. doi: 10.1002/jcc.25101. Epub 2017 Nov 8. J Comput Chem. 2018. PMID: 29116647

6

Analysis of Structural Stability of Chignolin.

Maruyama Y, Mitsutake A. Maruyama Y, et al. J Phys Chem B. 2018 Apr 12;122(14):3801-3814. doi: 10.1021/acs.jpcb.8b00288. Epub 2018 Mar 26. J Phys Chem B. 2018. PMID: 29526100

7

Analysis of molecular dynamics simulations of 10-residue peptide, chignolin, using statistical mechanics: Relaxation mode analysis and three-dimensional reference interaction site model theory.

Maruyama Y, Takano H, Mitsutake A. Maruyama Y, et al. Biophys Physicobiol. 2019 Nov 29;16:407-429. doi: 10.2142/biophysico.16.0_407. eCollection 2019. Biophys Physicobiol. 2019. PMID: 31984194 Free PMC article. Review.

8

Mutation-induced change in chignolin stability from π-turn to α-turn.

Maruyama Y, Koroku S, Imai M, Takeuchi K, Mitsutake A. Maruyama Y, et al. RSC Adv. 2020 Jun 15;10(38):22797-22808. doi: 10.1039/d0ra01148g. eCollection 2020 Jun 10. RSC Adv. 2020. PMID: 35514567 Free PMC article.

9

Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory.

Yoshida N, Maruyama Y, Mitsutake A, Kuroda A, Fujiki R, Kanemaru K, Okamoto D, Kobryn AE, Gusarov S, Nakano H. Yoshida N, et al. Among authors: maruyama y. J Chem Inf Model. 2022 Jun 13;62(11):2889-2898. doi: 10.1021/acs.jcim.2c00192. Epub 2022 May 18. J Chem Inf Model. 2022. PMID: 35583118

10

Analysis of Protein Folding Simulation with Moving Root Mean Square Deviation.

Maruyama Y, Igarashi R, Ushiku Y, Mitsutake A. Maruyama Y, et al. J Chem Inf Model. 2023 Mar 13;63(5):1529-1541. doi: 10.1021/acs.jcim.2c01444. Epub 2023 Feb 23. J Chem Inf Model. 2023. PMID: 36821519 Free PMC article.

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

2,421 results

Search Page

Filters