Research field (1):
Pharmaceuticals - analytical and physicochemistry
Research keywords (2):
分子シミュレーション
, Molecular simulaton
Research theme for competitive and other funds (5):
2006 - 2007 ドッキングシミュレーションのための異方性を考慮した溶媒効果の評価法の関発
分子シュミレーションによる両性分子水溶液の構造解析
ペントアンスレン型構造を有する三環系モノアミン酸化酵素阻害剤の定量的構造活性相関
Structual analysis of aqueous solutions of various amphoteric molecules by mdecular simulation
QSAR of Tricyclic MAO Inhibitors of Pentanthrene Type
Papers (13):
Shoji Maehara, Manami Kobayashi, Mari Kuwada, Tominari Choshi, Hirofumi Inoue, Yuhzou Hieda, Takashi Nishiyama, Toshiyuki Hata. <i>In Vitro</i> and <i>in Silico</i> Studies of Potential Coronavirus-Specific 3C-Like Protease Inhibitors. Chemical and Pharmaceutical Bulletin. 2022. 70. 3. 195-198
西山卓志, 小峠里佳, 山内明, 秦季之, 前原昭次, 波多江典之, 町支臣成. Synthesis of 4-aroyl-5-arylpyrazoles and 4-aroy-3-arylpyrazoles via the reaction of enaminodiketones with substituted hydradines. 複素環化学討論会講演要旨集. 2020. 49th. 1. 25-45
Analysis of Daily Reports of Practical Training in Pharmacology Using Text Mining. 2014. 32. 31-31
Surveillance Study on the Needs for Self-medication of Local Residents and Community Pharmacists in Fukuyama. 2013. 31. 15-16
Surveillance Study in Collaboration with a University-Daycare Center for Elderly People and Nursery School for Children on the Use of Over-the-Counter Drugs and Health Food in Fukuyama. 2011. 29. 54-54
Kayoko M. Fukasawa, Junzo Hirose, Toshiyuki Hata, Yukio Ono. In rat dipeptidyl peptidase III, His(568) is essential for catalysis, and Glu(507) or Glu(512) stabilizes the coordination bond between His(455) or His(450) and zinc ion. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS. 2010. 1804. 10. 2063-2069
Kayoko M. Fukasawa, Junzo Hirose, Toshiyuki Hata, Yukio Ono. In rat dipeptidyl peptidase III, His(568) is essential for catalysis, and Glu(507) or Glu(512) stabilizes the coordination bond between His(455) or His(450) and zinc ion. BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS. 2010. 1804. 10. 2063-2069