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Mochizuki, Yuji
457
results:
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1
Development Status of ABINIT-MP in 2023; FMOプログラムABINIT-MPの..:
MOCHIZUKI, Yuji
;
NAKANO, Tatsuya
;
SAKAKURA, Kota
...
Journal of Computer Chemistry, Japan. 23 (2024) 1 - p. 4-8 , 2024
Link:
https://doi.org/10.2477/..
?
2
Prediction of Binding Pose and Affinity of Nelfinavir, a SA..:
Handa, Yuma
;
Okuwaki, Koji
;
Kawashima, Yusuke
...
The Journal of Physical Chemistry B. 128 (2024) 10 - p. 2249-2265 , 2024
Link:
https://doi.org/10.1021/..
?
3
Towards tailoring hydrophobic interaction with uranyl(vi) o..:
Tsushima, Satoru
;
Kretzschmar, Jérôme
;
Doi, Hideo
...
Chemical Communications. 60 (2024) 36 - p. 4769-4772 , 2024
Link:
https://doi.org/10.1039/..
?
4
DPD simulation to reproduce lipid membrane microdomains bas..:
Doi, Hideo
;
Osada, Yushi
;
Tachino, Yusuke
...
Applied Physics Express. 17 (2024) 5 - p. 055001 , 2024
Link:
https://doi.org/10.35848..
?
5
Size‐consistency and orbital‐invariance issues revealed by ..:
Sugisaki, Kenji
;
Nakano, Tatsuya
;
Mochizuki, Yuji
Journal of Computational Chemistry. 45 (2024) 26 - p. 2204-2213 , 2024
Link:
https://doi.org/10.1002/..
?
6
FMODBからのデータ取得用Pythonスクリプトの開発; Development of Python Scripts..:
MATSUOKA, Sota
;
KAKINUMA, Sayaka
;
OKUWAKI, Koji
..
Journal of Computer Chemistry, Japan. , 2024
Link:
https://doi.org/10.2477/..
?
7
タンパク質に関する FMO-DPD シミュレーション用パラメータ算定と試行; Parameter Evaluation..:
TACHINO, Yusuke
;
DOI, Hideo
;
OKUWAKI, Koji
..
Journal of Computer Chemistry, Japan. 22 (2023) 2 - p. 15-17 , 2023
Link:
https://doi.org/10.2477/..
?
8
Development of reverse mapping system bridging dissipative ..:
Okuwaki, Koji
;
Doi, Hideo
;
Ozawa, Taku
.
Japanese Journal of Applied Physics. 62 (2023) 11 - p. 110902 , 2023
Link:
https://doi.org/10.35848..
?
9
Dissipative particle dynamics simulation for peptoid nanosh..:
Tachino, Yusuke
;
Okuwaki, Koji
;
Doi, Hideo
..
Japanese Journal of Applied Physics. 62 (2023) 9 - p. 090902 , 2023
Link:
https://doi.org/10.35848..
?
10
Machine learning to improve efficiency of non-empirical int..:
Doi, Hideo
;
Matsuoka, Sota
;
Okuwaki, Koji
...
Japanese Journal of Applied Physics. 62 (2023) 7 - p. 070901 , 2023
Link:
https://doi.org/10.35848..
?
11
Bayesian phase difference estimation algorithm for direct c..:
Sugisaki, Kenji
;
Prasannaa, V S
;
Ohshima, Satoshi
...
Electronic Structure. 5 (2023) 3 - p. 035006 , 2023
Link:
https://doi.org/10.1088/..
?
12
Enhancement of energy decomposition analysis in fragment mo..:
Matsuoka, Sota
;
Sakakura, Kota
;
Akinaga, Yoshinobu
...
Journal of Computational Chemistry. 45 (2023) 12 - p. 898-902 , 2023
Link:
https://doi.org/10.1002/..
?
13
Correction to "Bifurcated Hydrogen Bonds in a Peptide Cryst..:
Motai, Kazunori
;
Koishihara, Nao
;
Narimatsu, Takuma
...
Crystal Growth & Design. 23 (2023) 9 - p. 6988-6988 , 2023
Link:
https://doi.org/10.1021/..
?
14
Practical Computational Chemistry Course for a Comprehensiv..:
Kuroki, Nahoko
;
Mochizuki, Yuji
;
Mori, Hirotoshi
Journal of Chemical Education. 100 (2023) 2 - p. 647-654 , 2023
Link:
https://doi.org/10.1021/..
?
15
Bifurcated Hydrogen Bonds in a Peptide Crystal Unveiled by ..:
Motai, Kazunori
;
Koishihara, Nao
;
Narimatsu, Takuma
...
Crystal Growth & Design. 23 (2023) 6 - p. 4556-4561 , 2023
Link:
https://doi.org/10.1021/..
1-15