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Yuji Mochizuki

rikkyo university

40H指数
327论文数
5.7K被引数
收录论文 38
发表时间
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Residue‑resolved dynamically averaged interaction analysis of direct factor Xa inhibitors by MD‑FMO combination calculations通过MD-FMO组合计算对直接Xa因子抑制剂的残基分辨动态平均相互作用分析
errJournal of Computer-Aided Molecular Design
IF3.1
err2026-05-29
err0
errOAAI
errRyohei Yoshine; Yoshinori Hirano; Hideo Doi; Shun Kitahara; Kazuki Akisawa; Koji Okuwaki; Eiji Yamamoto; Kenji Yasuoka; Yuji Mochizuki
err分享
err收藏
DPD simulation and FMO interaction analysis for electropore generated by voltage application on POPC membrane对电压应用于POPC膜产生的电孔的DPD模拟和FMO相互作用分析
errJapanese Journal of Applied Physics
IF1.8
err2026-05-15
err0
PREAI
errOkuwaki, Koji; Nakajima, Ryota; Doi, Hideo; Sumitomo, Koji; Mochizuki, Yuji
err分享
err收藏
Development status of ABINIT-MP in 2025ABINIT-MP在2025年的发展现状
errJournal of Computer Chemistry-Japan
IF0.2
err2026-01-01
err0
PREAI
errMochizuki, Yuji; Nakano, Tatsuya; Sakakura, Kota; Doi, Hideo; Okuwaki, Koji; Fukuzawa, Kaori; Kato, Toshihiro; Naruse, Akira; Hoshino, Tetsuya; Ohshima, Satoshi; Takizawa, Hiroyuki; Nakajima, Kengo; Katagiri, Takahiro
err分享
err收藏
Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-02-02
err1
errOAAI
errDoi, Hideo; Nakano, Tatsuya; Sakakura, Kota; Akisawa, Kazuki; Okuwaki, Koji; Hirano, Yoshinori; Yamamoto, Eiji; Yasuoka, Kenji; Ohshima, Satoshi; Katagiri, Takahiro; Mochizuki, Yuji
err分享
err收藏
Feature vectorization of microphase-separated structures in polymeric materials using dissipative particle dynamics and persistent homology for machine learning applications利用耗散粒子动力学和持久同调对聚合物材料中微相分离结构进行特征向量化，以用于机器学习应用
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errHigashi, Yukito; Okuwaki, Koji; Mochizuki, Yuji; Fujigaya, Tsuyohiko; Kato, Koichiro
err分享
err收藏
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-12-02
err2
PREAI
errOkuwaki, Koji; Watanabe, Naoki; Kato, Koichiro; Watanabe, Chiduru; Nakayama, Naofumi; Kato, Akifumi; Mochizuki, Yuji; Nakano, Tatsuya; Honma, Teruki; Fukuzawa, Kaori
err分享
err收藏
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme使用FMO方案的vqe-uccsd计算揭示的大小一致性和轨道不变性问题
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-05-25
err2
errOAAI
errSugisaki, Kenji; Nakano, Tatsuya; Mochizuki, Yuji
err分享
err收藏
Towards tailoring hydrophobic interaction with uranyl(vi) oxygen for C-H activation
errCHEMICAL COMMUNICATIONS
IF4.2
err2024-01-01
err4
errOAAI
errTsushima, Satoru; Kretzschmar, Jerome; Doi, Hideo; Okuwaki, Koji; Kaneko, Masashi; Mochizuki, Yuji; Takao, Koichiro
err分享
err收藏
Enhancement of energy decomposition analysis in fragment molecular orbital calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-29
err5
PREAI
errMatsuoka, Sota; Sakakura, Kota; Akinaga, Yoshinobu; Akisawa, Kazuki; Okuwaki, Koji; Doi, Hideo; Mochizuki, Yuji
err分享
err收藏
Bifurcated Hydrogen Bonds in a Peptide Crystal Unveiled by X-ray Diffraction and Polarized Raman Spectroscopy (vol 23, pg 4556, 2023)
errCRYSTAL GROWTH & DESIGN
IF3.4
err2023-07-27
err0
errOAAI
errMotai, Kazunori; Koishihara, Nao; Narimatsu, Takuma; Ohtsu, Hiroyoshi; Kawano, Masaki; Wada, Yuki; Akisawa, Kazuki; Okuwaki, Koji; Mori, Takehiko; Kim, Ji-Seon; Mochizuki, Yuji; Hayamizu, Yuhei
err分享
err收藏
Bifurcated Hydrogen Bonds in a Peptide Crystal Unveiled by X-ray Diffraction and Polarized Raman Spectroscopy通过x射线衍射和偏振拉曼光谱揭示肽晶体中的分叉氢键
errCRYSTAL GROWTH & DESIGN
IF3.4
err2023-05-10
err2
errOAAI
errMotai, Kazunori; Koishihara, Nao; Narimatsu, Takuma; Ohtsu, Hiroyoshi; Kawano, Masaki; Wada, Yuki; Akisawa, Kazuki; Okuwaki, Koji; Mori, Takehiko; Kim, Ji-Seon; Mochizuki, Yuji; Hayamizu, Yuhei
err分享
err收藏
Acceleration of Environmental Electrostatic Potential Using Cholesky Decomposition with Adaptive Metric (CDAM) for Fragment Molecular Orbital (FMO) Method
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2020-09-04
err2
errOAAI
errOkiyama, Yoshio; Nakano, Tatsuya; Watanabe, Chiduru; Fukuzawa, Kaori; Komeiji, Yuto; Segawa, Katsunori; Mochizuki, Yuji
err分享
err收藏
Self-Degradable Lipid-Like Materials Based on Hydrolysis accelerated by the intra-Particle Enrichment of Reactant (HyPER) for Messenger RNA Delivery基于通过用于信使RNA递送的反应物 (超) 的颗粒内富集加速的水解的自降解脂质样材料
errADVANCED FUNCTIONAL MATERIALS
IF19
err2020-06-23
err76
errOAAI
errTanaka, Hiroki; Takahashi, Tatsunari; Konishi, Manami; Takata, Nae; Gomi, Masaki; Shirane, Daiki; Miyama, Ryo; Hagiwara, Shinya; Yamasaki, Yuki; Sakurai, Yu; Ueda, Keisuke; Higashi, Kenjirou; Moribe, Kunikazu; Shinsho, Eiji; Nishida, Ruka; Fukuzawa, Kaori; Yonemochi, Etsuo; Okuwaki, Koji; Mochizuki, Yuji; Nakai, Yuta; Tange, Kota; Yoshioka, Hiroki; Tamagawa, Shinya; Akita, Hidetaka
err分享
err收藏
Fragment Molecular Orbital Based Interaction Analyses on COVID-19 Main Protease - Inhibitor N3 Complex (PDB ID: 6LU7)
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-06-15
err88
errOAAI
errHatada, Ryo; Okuwaki, Koji; Mochizuki, Yuji; Handa, Yuma; Fukuzawa, Kaori; Komeiji, Yuto; Okiyama, Yoshio; Tanaka, Shigenori
err分享
err收藏
Fragmentation at sp2 carbon atoms in fragment molecular orbital method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-03-20
err6
PREAI
errAkinaga, Yoshinobu; Kato, Koichiro; Nakano, Tatsuya; Fukuzawa, Kaori; Mochizuki, Yuji
err分享
err收藏
Ab Initio Fragment Molecular Orbital-Based Molecular Dynamics (FMO-MD) Simulations of (NH3)32 Cluster: Effects of Electron Correlation
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2020-02-06
err3
PREAI
errNinomiya, Moeko; Doi, Hideo; Matsumoto, Yoshiteru; Mochizuki, Yuji; Komeiji, Yuto
err分享
err收藏
Stabilization Mechanism for a Nonfibrillar Amyloid β Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics
errACS CHEMICAL NEUROSCIENCE
IF3.9
err2020-01-03
err15
errOAAI
errKawai, Ryoko; Chiba, Shuntaro; Okuwaki, Koji; Kanada, Ryo; Doi, Hideo; Ono, Masahiro; Mochizuki, Yuji; Okuno, Yasushi
err分享
err收藏
Destabilization of DNA through interstrand crosslinking by UO22+
errCHEMICAL COMMUNICATIONS
IF4.2
err2019-01-01
err13
PREAI
errRossberg, Andre; Abe, Takaya; Okuwaki, Koji; Barkleit, Astrid; Fukuzawa, Kaori; Nakano, Tatsuya; Mochizuki, Yuji; Tsushima, Satoru
err分享
err收藏
Development of an Analysis Toolkit, AnalysisFMO, to Visualize Interaction Energies Generated by Fragment Molecular Orbital Calculations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2018-12-05
err16
PREAI
errTokiwa, Takaki; Nakano, Shogo; Yamamoto, Yuta; Ishikawa, Takeshi; Ito, Sohei; Sladek, Vladimir; Fukuzawa, Kaori; Mochizuki, Yuji; Tokiwa, Hiroaki; Misaizu, Fuminori; Shigeta, Yasuteru
err分享
err收藏
Interaction between a Single-Stranded DNA and a Binding Protein Viewed by the Fragment Molecular Orbital Method
errBULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
IF3.8
err2018-09-12
err5
PREAI
errKomeiji, Yuto; Okiyama, Yoshio; Mochizuki, Yuji; Fukuzawa, Kaori
err分享
err收藏

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