Researchers

NAKAMURA Shinya

NAKAMURA Shinya
Lecturer
Faculty Department of Pharmaceutical Sciences
Researchmap https://researchmap.jp/nakas

Education and Career

Academic & Professional Experience

  • Apr. 2018 - Today , Kindai University Faculty of Pharmacy 講師
  • Apr. 2013 - Mar. 2018 , Kindai University Faculty of Pharmacy 助教
  • Apr. 2008 - Mar. 2013 , Kindai University Faculty of Pharmacy 助手
  • Apr. 2007 - Mar. 2008 , 株式会社菱化システム 計算科学部

Research Activities

Research Areas

  • Life sciences, Pharmaceuticals - analytical and physicochemistry

Research Interests

物理化学, フラグメント分子軌道法, 計算化学, SBDD, 分子設計, 分子動力学, 構造活性相関

Published Papers

  1. Design, Synthesis and Structure–Activity Relationship Studies of Protein Kinase CK2 Inhibitors Containing a Purine Scaffold
    Keiji Nishiwaki; Shinya Nakamura; Kenji Yoshioka; Eri Nakagawa; Shiori Nakatani; Masato Tsuyuguchi; Takayoshi Kinoshita; Isao Nakanishi
    Chemical and Pharmaceutical Bulletin  71  (7)  , 558-565, 1, Jul. 2023  , Refereed
  2. Fragment Molecular Orbital based affinity prediction toward pyruvate dehydrogenase kinases: Insights into the charge transfer in hydrogen bond networks
    Tatsuo Akaki; Shinya Nakamura; Keiji Nishiwaki; Isao Nakanishi
    Chemical and Pharmaceutical Bulletin  71  (4)  , 299-306, Feb. 2023  , Refereed
  3. System truncation accelerates binding affinity calculations with the fragment molecular orbital method: A benchmark study
    Shinya Nakamura; Tatsuo Akaki; Keiji Nishiwaki; Midori Nakatani; Yuji Kawase; Yuki Takahashi; Isao Nakanishi
    Journal of Computational Chemistry  44  (7)  , 824-831, 29, Nov. 2022  , Refereed

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Conference Activities & Talks

  1. Improvement of Pseudo-molecule Generation on Solvent Dipole Ordering Virtual Screening (SDO-VS) , Shinya Nakamura , The 11th China-Japan Joint Symposium on Drug Design and Development , 23, Jun. 2018
  2. 計算化学初心者のための分子動力学計算講習会 ~WindowsPCで行うMD計算の環境作りと失敗しないための考え方~ , 中村真也 , 第8回ケモインフォマティクス入門講座 , 11, Nov. 2017
  3. Practical research of Solvent Dipole Ordering for Drug Discovery , Shinya Nakamura; Shotaku KIMURA; Hayao KITAYOSHI; Isao; NAKANISHI , 第10回分子科学討論会2016神戸 , 15, Sep. 2016

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MISC

  1. Structure activity relationship study of ck2 inhibitors with a pyrazole scaffold by nitrogen scan , 奥村政輝; 中西伸介; 栗本泰奈; 西脇敬二; 中村真也; 大石真也; 大野浩章; 仲西功 , 日本薬学会年会要旨集(CD-ROM) , 140th , 2020
  2. Structure-activity relationship study of CK2 inhibitors with a pyrazole scaffold by nitrogen scan , 奥村政輝; 中西伸介; 栗本泰奈; 西脇敬二; 中村真也; 大石真也; 大野浩章; 仲西功 , 構造活性相関シンポジウム講演要旨集 , 47th (CD-ROM) , 2019
  3. RAGEを標的とした化学療法誘起末梢神経障害治療薬の探索 in silicoドラッグ・リプロファイリング/リポジショニングからのアプローチ , 脇谷 航平; 関口 富美子; 坪田 真帆; 中村 真也; 仲西 功; 川畑 篤史 , PAIN RESEARCH , 33 , 2 , 157 , 157 , Jun. 2018

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Awards & Honors

  1. Nov. 2017, サラシア属植物普及協会, サラシア属植物普及協会会長賞
  2. Sep. 2016, 日本化学会情報化学部会, Journal of Computer Aided Chemistry論文賞
  3. Sep. 2005, 日本薬学会構造活性相関部会, SAR Promotion Award