日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Molecular Mechanism of Disulfide Bond Healing and Network Repair in Epoxy Vitrimers Revealed by Quantum Chemical and Molecular Dynamics Simulations

量子化学和分子动力学模拟揭示环氧玻璃体中二硫键修复和网络修复的分子机制

Uyama, Tomoya; Kishimoto, Naoki; Oya, Yutaka; Murashima, Takahiro; Koyanagi, Jun

Quantum Chemical Study on the Temperature Dependence of Separation of Molecular Hydrogen and Deuterium Using Adsorption on Mn Dihydrogen Complexes

利用锰二氢配合物吸附法分离分子氢和氘的温度依赖性量子化学研究

Xue, Hao; Kishimoto, Naoki; Takaishi, Shinya

Impact of Electrostatic Disorder on Intramolecular Electronic Coupling in Organic Mixed Ionic-Electronic Conductors: A Combined GRRM, MD, and QM/MM-CDFT Study

静电无序对有机混合离子-电子导体分子内电子耦合的影响:GRRM、MD 和 QM/MM-CDFT 联合研究

Gao, Zhanglei; Xiao, Bowen; Kishimoto, Naoki; Murashima, Takahiro

Impact of Single Halogen Atom Substitutions on Antiviral Profile of Inhibitors Targeting SARS-CoV‑2 Main Protease

单个卤素原子取代对靶向SARS-CoV-2主蛋白酶抑制剂抗病毒活性的影响

Bulut, Haydar; Higashi-Kuwata, Nobuyo; Ogata-Aoki, Hiromi; Hayashi, Hironori; Takamune, Nobutoki; Kishimoto, Naoki; Das, Debananda; Li, Mi; Wlodawer, Alexander; Misumi, Shogo; Tamamura, Hirokazu; Mitsuya, Hiroaki

Structural basis of the hepatitis B virus X protein in complex with DDB1

乙型肝炎病毒X蛋白与DDB1复合物的结构基础

Tanaka, Hiroki; Diogo Dias, Joao; Jay, Basile; Kita, Shunsuke; Sasaki, Mina; Takeda, Hiroyuki; Kishimoto, Naoki; Sasaki, Shunsuke; Misumi, Shogo; Mizokami, Masashi; Neuveut, Christine; Sumikama, Takashi; Shibata, Mikihiro; Maenaka, Katsumi; Machida, Shinichi

Influence of Monomer Size on CO(2) Adsorption and Mechanical Properties in Microporous Cyanate Ester Resins

单体尺寸对微孔氰酸酯树脂中CO₂吸附和力学性能的影响

Bai, Yukun; Kikugawa, Gota; Kishimoto, Naoki

Hydrazonylthiazole Derivatives as Dual EGFR and ALR2 Inhibitors: Design, Synthesis, and Comprehensive In Vitro and In Silico Evaluation for Potential Anticancer Activity

肼基噻唑衍生物作为双重EGFR和ALR2抑制剂:设计、合成及体外和计算机模拟抗癌活性综合评价

Sever, Belgin; Türkeş, Cüneyt; Demir, Yeliz; Elamin, Khaled M; Osman, Wadah; Oral, Kübra; Akıncı Genç, Selenay; Cantürk, Zerrin; Masunaga, Takuya; Kishimoto, Naoki; Misumi, Shogo; Otsuka, Masami; Fujita, Mikako; Ciftci, Halilibrahim

Navigating Chemical Space through Isomerization Networks and Intermolecular Encounters of Seven Five-Atom Organic Species

通过异构化网络和七种五原子有机物种的分子间相互作用来探索化学空间

Zhang, Dapeng; Kishimoto, Naoki

Global Potential Energy Surface Investigation of Cyanoformaldehyde and Its Conformational Dynamics, Decomposition Pathways, and Water-Involved Bimolecular Reactions

氰基甲醛的全球势能面研究及其构象动力学、分解途径和水参与的双分子反应

Zhang, Dapeng; Kishimoto, Naoki

Effects of Oxygen Atom Position in Linear Side Chains of Ansellone Analogues on HIV Latency-Reversing Activity

安塞隆类似物线性侧链中氧原子位置对HIV潜伏期逆转活性的影响

Nakahara, Kanae; Kishimoto, Naoki; Yasutake, Tae; Hanatani, Yutaro; Misumi, Shogo; Arisawa, Mitsuhiro; Murai, Kenichi