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

DFDD: A Cloud-Ready Tool for Distance-Guided Fully Dynamic Docking in Host-Guest Complexation

DFDD:一种用于主客体复杂系统中距离引导全动态对接的云就绪工具

Hengphasatporn, Kowit; Duan, Lian; Harada, Ryuhei; Shigeta, Yasuteru

Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence

基于人工智能预测的多种蛋白质构象增强采样自由能计算方法

Aoki, Toma; Harada, Ryuhei

Construction of PROTAC-Mediated Ternary Complex Structure Distribution Profiles Using Extensive Conformational Search

利用广泛的构象搜索构建PROTAC介导的三元复合物结构分布图

Kudo, Genki; Hirao, Takumi; Harada, Ryuhei; Shigeta, Yasuteru; Hirokawa, Takatsugu; Yoshino, Ryunosuke

Harnessing synaptic vesicle release and recycling with antibody shuttle for targeted delivery of therapeutics to neurons.

利用抗体穿梭技术,通过突触囊泡的释放和回收,将治疗药物靶向递送至神经元

Yee Karen Kar Lye, Kumamoto Junichi, Inomata Daijiro, Suzuki Naoki, Harada Ryuhei, Yumoto Norihiro

Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay

利用基于机器学习的定量构效关系(QSAR)、LB-PaCS-MD方法和实验检测,揭示了依布硒仑和依布硫衍生物对SARS-CoV-2的抗病毒抑制活性。

Sinsulpsiri, Silpsiri; Nishii, Yuji; Xu-Xu, Qing-Feng; Miura, Masahiro; Wilasluck, Patcharin; Salamteh, Kanokwan; Deetanya, Peerapon; Wangkanont, Kittikhun; Suroengrit, Aphinya; Boonyasuppayakorn, Siwaporn; Duan, Lian; Harada, Ryuhei; Hengphasatporn, Kowit; Shigeta, Yasuteru; Shi, Liyi; Maitarad, Phornphimon; Rungrotmongkol, Thanyada

Publisher Correction: Unveiling the antiviral inhibitory activity of ebselen and ebsulfur derivatives on SARS-CoV-2 using machine learning-based QSAR, LB-PaCS-MD, and experimental assay

出版商更正:利用基于机器学习的QSAR、LB-PaCS-MD和实验检测方法揭示依布硒仑和依布硫衍生物对SARS-CoV-2的抗病毒抑制活性

Sinsulpsiri, Silpsiri; Nishii, Yuji; Xu-Xu, Qing-Feng; Miura, Masahiro; Wilasluck, Patcharin; Salamteh, Kanokwan; Deetanya, Peerapon; Wangkanont, Kittikhun; Suroengrit, Aphinya; Boonyasuppayakorn, Siwaporn; Duan, Lian; Harada, Ryuhei; Hengphasatporn, Kowit; Shigeta, Yasuteru; Shi, Liyi; Maitarad, Phornphimon; Rungrotmongkol, Thanyada

BEMM-GEN: A Toolkit for Generating a Biomolecular Environment-Mimicking Model for Molecular Dynamics Simulation

BEMM-GEN:用于生成模拟生物分子环境的分子动力学模拟模型的工具包

Yasuda, Takunori; Morita, Rikuri; Shigeta, Yasuteru; Harada, Ryuhei

Ribosome Tunnel Environment Drives the Formation of α-Helix during Cotranslational Folding

核糖体隧道环境驱动共翻译折叠过程中α螺旋的形成

Yasuda, Takunori; Morita, Rikuri; Shigeta, Yasuteru; Harada, Ryuhei

Design of electron-donating group substituted 2-PAM analogs as antidotes for organophosphate insecticide poisoning

设计以给电子基团取代的2-PAM类似物作为有机磷杀虫剂中毒的解毒剂

Kongkaew, Nalinee; Hengphasatporn, Kowit; Injongkol, Yuwanda; Mee-Udorn, Pitchayathida; Shi, Liyi; Mahalapbutr, Panupong; Maitarad, Phornphimon; Harada, Ryuhei; Shigeta, Yasuteru; Rungrotmongkol, Thanyada; Vangnai, Alisa S

Author Correction: Identifying antibiotics based on structural differences in the conserved allostery from mitochondrial heme-copper oxidases

作者更正:基于线粒体血红素铜氧化酶保守变构的结构差异来鉴定抗生素

Nishida, Yuya; Yanagisawa, Sachiko; Morita, Rikuri; Shigematsu, Hideki; Shinzawa-Itoh, Kyoko; Yuki, Hitomi; Ogasawara, Satoshi; Shimuta, Ken; Iwamoto, Takashi; Nakabayashi, Chisa; Matsumura, Waka; Kato, Hisakazu; Gopalasingam, Chai; Nagao, Takemasa; Qaqorh, Tasneem; Takahashi, Yusuke; Yamazaki, Satoru; Kamiya, Katsumasa; Harada, Ryuhei; Mizuno, Nobuhiro; Takahashi, Hideyuki; Akeda, Yukihiro; Ohnishi, Makoto; Ishii, Yoshikazu; Kumasaka, Takashi; Murata, Takeshi; Muramoto, Kazumasa; Tosha, Takehiko; Shiro, Yoshitsugu; Honma, Teruki; Shigeta, Yasuteru; Kubo, Minoru; Takashima, Seiji; Shintani, Yasunori