"Keisuke Yanagisawa,Rikuto Kubota,Yasushi Yoshikawa,Masahito Ohue,Yutaka Akiyama","Effective Protein-Ligand Docking Strategy via Fragment Reuse and a Proof-of-Concept Implementation",,"ACS Omega","American Chemical Society","Volume 7","Issue 34","pp. 30265-30274",2022,Aug. "Jianan Li,Yanagisawa K,Yoshikawa Y,Ohue M,Akiyama Y.","Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning",,"Bioinformatics",,"Volume 38","Issue 4"," 1110-1117",2022,Feb. "杉田昌岳,杉山聡,藤江拓哉,吉川寧,柳澤渓甫,大上雅史,秋山泰","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","第58回日本生物物理学会年会",,,,,,2021,Nov. "杉田昌岳,杉山聡,藤江拓哉,吉川寧,柳澤渓甫,大上雅史,秋山泰","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","第58回日本生物物理学会年会",,,,,,2021,Nov. "杉田昌岳,杉山聡,藤江拓哉,吉川寧,柳澤渓甫,大上雅史,秋山泰","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","第43回溶液化学シンポジウム",,,,,,2021,Oct. "Sugita M,Sugiyama S,Takuya Fujie,Yoshikawa Y,Yanagisawa K,Ohue M,Akiyama Y.","Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations","CBI学会2021年大会",,,,,,2021,Oct. "Sugita M,Sugiyama S,Takuya Fujie,Yoshikawa Y,Yanagisawa K,Ohue M,Akiyama Y.","Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations",,"Journal of Chemical Information and Modeling",," 61"," 7"," 3681-3695",2021,July "村田翔太朗,山田雄太,吉川寧,大上雅史,秋山泰","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",,"研究報告バイオ情報学(BIO)","情報処理学会","Vol. 2020-BIO-61","No. 5","pp. 1-7",2020,Mar. "久保田陸人,柳澤渓甫,吉川寧,大上雅史,秋山泰","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",,"情報処理学会研究報告",,"Vol. 2020-BIO-61","No. 4","pp. 1-8",2020,Mar. "Yuta Yamada,Yasushi Yoshikawa,Naoki Wakui,Masahito Ohue,Yutaka Akiyama","Development of Membrane Permeability Prediction Method for Cyclic Peptids with Machine Learning","第8回生命医薬情報学連合大会 (IIBMP2019)",,,,,,2019,Sept. "李佳男,吉川寧,大上雅史,秋山泰.","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","情報処理学会研究報告 バイオ情報学(BIO)","研究報告バイオ情報学(BIO)",,"Vol. 2019-BIO-58","No. 52","pp. 1-8",2019,June "木曽良明,秋山 泰,大上 雅史,吉川 寧,和久井 直樹","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)",,"木曽良明監修「ペプチド創薬の最前線」","シーエムシー出版",,,"pp. 70-78",2019,May "山田 雄太,吉川 寧,和久井 直樹,大上 雅史,秋山 泰","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","情報処理学会研究報告 バイオ情報学(BIO)","研究報告バイオ情報学(BIO)","情報処理学会","Vol. 2019-BIO-57","No. 13","pp. 1-8",2019,Mar. "黄毅聰,吉川寧,和久井直樹,大上雅史,秋山泰.","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","情報処理学会研究報告 バイオ情報学(BIO)","研究報告バイオ情報学(BIO)","情報処理学会","Vol. 2019-BIO-57","No. 10","pp. 1-8",2019,Mar. "Takashi Tajimi,Naoki Wakui,Keisuke Yanagisawa,Yasushi Yoshikawa,Masahito Ohue,Yutaka Akiyama","Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques","the 29th International Conference on Genome Informatics (GIW 2018)","BMC Bioinformatics","Springer Nature","Volume 19",,,2018,Dec. "Koki Yamamoto,Yasushi Yoshikawa,Masahito Ohue,Shinsuke Inuki,Hiroaki Ohno,Shinya Oishi","Synthesis of Triazolo- and Oxadiazolopiperazines by Gold(I)-Catalyzed Domino Cyclization: Application to the Design of a Mitogen Activated Protein (MAP) Kinase Inhibitor",,"Organic Letters","American Chemical Society","Volume 21","Issue 2","Page 373-377",2018,Dec. "Takashi Tajimi,Naoki Wakui,Keisuke Yanagisawa,Yasushi Yoshikawa,Masahito Ohue,Yutaka Akiyama","Computational prediction of plasma protein binding of cyclic peptides from small molecule experimental data using sparse modeling techniques",,"BMC Bioinformatics","Springer Nature","Volume 19",,,2018,Dec.