E-LIB Suche - Ergebnisse für: Mochizuki, Yuji

1

Size‐consistency and orbital‐invariance issues revealed by ..:

Sugisaki, Kenji ; Nakano, Tatsuya ; Mochizuki, Yuji
Journal of Computational Chemistry. , 2024

Link: https://doi.org/10.1002/..

2

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..

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

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/..

5

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/..

6

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..

7

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/..

8

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/..

9

Lattice Folding Simulation of Peptide by Quantum Computatio:

SAITO, Rui ; OKUWAKI, Koji ; MOCHIZUKI, Yuji...
Journal of Computer Chemistry, Japan -International Edition. 9 (2023) 0 - p. n/a , 2023

Link: https://doi.org/10.2477/..

10

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/..

11

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..

12

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/..

13

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/..

14

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..

15

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/..