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MOCHIZUKI, Yuji
665  Ergebnisse:
Personensuche X
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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/..
 
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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/..
 
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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/..
 
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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..
 
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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/..
 
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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/..
 
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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/..
 
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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..
 
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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..
 
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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..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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