@book{CTT100848796, author = {木曽良明 and 秋山 泰 and 大上 雅史 and 吉川 寧 and 和久井 直樹}, title = {中分子創薬に適した特性を有する環状ペプチドのインシリコ設計(第8章)}, publisher = {シーエムシー出版}, year = 2019, } @article{CTT100883528, author = {Keisuke Yanagisawa and Rikuto Kubota and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama}, title = {Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation}, journal = {ACS Omega}, year = 2022, } @article{CTT100863265, author = {Jianan Li and Yanagisawa K and Yoshikawa Y and Ohue M and Akiyama Y.}, title = {Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning}, journal = {Bioinformatics}, year = 2022, } @article{CTT100862159, author = {Sugita M and Sugiyama S and Takuya Fujie and Yoshikawa Y and Yanagisawa K and Ohue M and Akiyama Y.}, title = {Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations}, journal = {Journal of Chemical Information and Modeling}, year = 2021, } @article{CTT100795110, author = {Takashi Tajimi and Naoki Wakui and Keisuke Yanagisawa and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama}, title = {Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques}, journal = {BMC Bioinformatics}, year = 2018, } @article{CTT100851458, author = {Koki Yamamoto and Yasushi Yoshikawa and Masahito Ohue and Shinsuke Inuki and Hiroaki Ohno and Shinya Oishi}, title = {Synthesis of Triazolo- and Oxadiazolopiperazines by Gold(I)-Catalyzed Domino Cyclization: Application to the Design of a Mitogen Activated Protein (MAP) Kinase Inhibitor}, journal = {Organic Letters}, year = 2018, } @inproceedings{CTT100876345, author = {杉田昌岳 and 杉山聡 and 藤江拓哉 and 吉川寧 and 柳澤渓甫 and 大上雅史 and 秋山泰}, title = {分子動力学シミュレーションに基づいた環状ペプチドの膜透過率の大規模予測}, booktitle = {}, year = 2021, } @inproceedings{CTT100876344, author = {杉田昌岳 and 杉山聡 and 藤江拓哉 and 吉川寧 and 柳澤渓甫 and 大上雅史 and 秋山泰}, title = {分子動力学シミュレーションに基づいた環状ペプチドの膜透過率の大規模予測}, booktitle = {}, year = 2021, } @inproceedings{CTT100876383, author = {Sugita M and Sugiyama S and Takuya Fujie and Yoshikawa Y and Yanagisawa K and Ohue M and Akiyama Y.}, title = {Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations}, booktitle = {}, year = 2021, } @inproceedings{CTT100876380, author = {杉田昌岳 and 杉山聡 and 藤江拓哉 and 吉川寧 and 柳澤渓甫 and 大上雅史 and 秋山泰}, title = {分子動力学シミュレーションに基づいた環状ペプチドの膜透過率の大規模予測}, booktitle = {}, year = 2021, } @inproceedings{CTT100839079, author = {久保田陸人 and 柳澤渓甫 and 吉川寧 and 大上雅史 and 秋山泰}, title = {共通な部分構造の再利用による高速なタンパク質リガンドドッキング手法の開発}, booktitle = {情報処理学会研究報告}, year = 2020, } @inproceedings{CTT100839080, author = {村田翔太朗 and 山田雄太 and 吉川寧 and 大上雅史 and 秋山泰}, title = {二次元分子記述子を用いた機械学習による環状ペプチドの細胞膜透過性予測}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2020, } @inproceedings{CTT100851873, author = {Yuta Yamada and Yasushi Yoshikawa and Naoki Wakui and Masahito Ohue and Yutaka Akiyama}, title = {Development of Membrane Permeability Prediction Method for Cyclic Peptids with Machine Learning}, booktitle = {}, year = 2019, } @inproceedings{CTT100810740, author = {李佳男 and 吉川寧 and 大上雅史 and 秋山泰.}, title = {機械学習を用いた環状ペプチドの体内安定性予測手法の改良}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2019, } @inproceedings{CTT100810731, author = {山田 雄太 and 吉川 寧 and 和久井 直樹 and 大上 雅史 and 秋山 泰}, title = {機械学習を用いた環状ペプチドの膜透過性予測手法の開発}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2019, } @inproceedings{CTT100823269, author = {黄毅聰 and 吉川寧 and 和久井直樹 and 大上雅史 and 秋山泰.}, title = {拡張サンプリング法による環状ペプチドの膜透過性予測システムの構築}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2019, } @inproceedings{CTT100851460, author = {Takashi Tajimi and Naoki Wakui and Keisuke Yanagisawa and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama}, title = {Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques}, booktitle = {BMC Bioinformatics}, year = 2018, } @misc{CTT100880495, author = {秋山泰 and 大上雅史 and 柳澤渓甫 and 吉川寧 and 李佳男}, title = {予測装置、学習済みモデルの生成装置、予測方法、学習済みモデルの生成方法、予測プログラム、及び学習済みモデルの生成プログラム}, howpublished = {登録特許}, year = 2022, month = {}, note = {特願2021-035648(2021/03/05), 特許第7057004号(2022/04/11)} } @misc{CTT100880496, author = {秋山泰 and 大上雅史 and 柳澤渓甫 and 吉川寧 and 杉田昌岳 and 藤江 拓哉 and 杉山聡 and 村田翔太朗}, title = {予測装置、学習済みモデルの生成装置、予測方法、学習済みモデルの生成方法、予測プログラム、及び学習済みモデルの生成プログラム}, howpublished = {登録特許}, year = 2022, month = {}, note = {特願2021-031234(2021/02/26), 特許第7057003号(2022/04/11)} } @misc{CTT100881800, author = {秋山泰 and 大上雅史 and 柳澤渓甫 and 吉川寧}, title = {情報処理装置、情報処理方法、情報処理プログラム、及び情報処理システム}, howpublished = {登録特許}, year = 2022, month = {}, note = {特願2021-023750(2021/02/17), 特開2022-078924(2022/05/25), 特許第7125575号(2022/08/17)} }