@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{CTT100810746, author = {Shuntaro Chiba and Masahito Ohue and Anastasiia Gryniukova and Petro Borysko and Sergey Zozulya and Nobuaki Yasuo and Ryunosuke Yoshino and Kazuyoshi Ikeda and Woong-Hee Shin and Daisuke Kihara and Mitsuo Iwadate and Hideaki Umeyama and Takaaki Ichikawa and Reiji Teramoto and Kun-Yi Hsin and Vipul Gupta and Hiroaki Kitano and Mika Sakamoto and Akiko Higuchi and Nobuaki Miura and Kei Yura and Masahiro Mochizuki and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and M. Michael Gromiha and Itsuo Nakane and Nanako Uchida and Hayase Hakariya and Modong Tan and Hironori Nakamura and Shogo Suzuki and Tomoki Ito and Masahiro Kawatani and Kentaroh Kudoh and Sakurako Takashina and Kazuki Yamamoto and Yoshitaka Moriwaki and Keita Oda and Daisuke Kobayashi and Tatsuya Okuno and Shintaro Minami and George Chikenji and Philip Prathipati and Chioko Nagao and Attayeb Mohsen and Mari Ito and Kenji Mizuguchi and Teruki Honma and Takashi Ishida and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima.}, title = {A prospective compound screening contest identified broader inhibitors for Sirtuin 1}, journal = {Scientific Reports}, year = 2019, } @article{CTT100819246, author = {Ohue M and Shogo Suzuki and Akiyama Y.}, title = {Learning-to-rank technique based on ignoring meaningless ranking orders between compounds}, journal = {Journal of Molecular Graphics and Modelling}, year = 2019, } @article{CTT100810744, author = {Ban T and Ohue M and Akiyama Y.}, title = {NRLMFβ: Bata-distribution-rescored Neighborhood Regularized Logistic Matrix Factorization for Improving Performance of Drug–Target Interaction Prediction}, journal = {Biochemistry and Biophysics Reports}, year = 2019, } @inproceedings{CTT100839076, author = {Kento Aoyama and Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama}, title = {Multiple HPC Environments-Aware Container Image Configuration for Bioinformatics Application}, booktitle = {}, year = 2019, } @inproceedings{CTT100810747, author = {Keren Jiang and Di Zhang and Tsubasa Iino and Risa Kimura and Tatsuo Nakajima and Kana Shimizu and Masahito Ohue and Yutaka Akiyama.}, title = {A playful tool for predicting protein-protein docking}, booktitle = {In Proceedings of the 18th International Conference on Mobile and Ubiquitous Multimedia (MUM 2019)}, year = 2019, } @inproceedings{CTT100851841, author = {大上雅史 and 鈴木翔吾 and 秋山泰}, title = {PKRank & SPDRank 化合物選別のためのランク学習法}, booktitle = {}, year = 2019, } @inproceedings{CTT100851864, author = {Kento Aoyama and Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama}, title = {Multiple HPC Environments-Aware Container Image Configuration for Bioinformatics Application}, booktitle = {}, year = 2019, } @inproceedings{CTT100851868, author = {Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama}, title = {Accelerating MEGADOCK: protein-protein interaction prediction software on multiple nodes and multiple GPUs environment}, booktitle = {}, year = 2019, } @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{CTT100851878, author = {Kazuki Izawa and Kazuki Shibayama and Masahito Ohue and Kazuyuki Ishihara and Yutaka Akiyama}, title = {Bacterial community and gene category composition analysis with high-speed homology search tool suggests the difference between periodontal disease and healthy sites}, booktitle = {}, year = 2019, } @inproceedings{CTT100851883, author = {Shumpei Matsuno and Masahito Ohue and Yutaka Akiyama}, title = {Multidomain protein structure prediction using multimeric interaction residue pair information}, booktitle = {}, year = 2019, } @inproceedings{CTT100851843, author = {Masahito Ohue and Hiroki Watanabe and Kento Aoyama and Yutaka Akiyama}, title = {Acceleration and virtualization of parallel protein-protein interaction prediction system MEGADOCK}, booktitle = {}, year = 2019, } @inproceedings{CTT100851861, author = {Masahito Ohue and Shogo D. Suzuki and Yutaka Akiyama}, title = {PKRank & SPDRank: Learning-to-rank methods for ligand-based virtual screening}, booktitle = {}, year = 2019, } @inproceedings{CTT100810748, author = {Masahito Ohue and Marina Yamasawa and Kazuki Izawa and Yutaka Akiyama}, title = {Parallelized pipeline for whole genome shotgun metagenomics with GHOSTZ-GPU and MEGAN}, booktitle = {}, year = 2019, } @inproceedings{CTT100810741, author = {Aoyama K and Yamamoto Y and Ohue M and Akiyama Y.}, title = {Performance evaluation of MEGADOCK protein–protein interaction prediction system implemented with distributed containers on a cloud computing environment}, booktitle = {In Proceedings of the 2019 International Conference on Parallel and Distributed Processing Techniques & Applications (PDPTA'19)}, year = 2019, } @inproceedings{CTT100851739, author = {Ohue M and Ii R and Yanagisawa K and Akiyama Y.}, title = {Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph}, booktitle = {IPSJ SIG Technical Report}, year = 2019, } @inproceedings{CTT100810742, author = {Ohue M and Ii R and Yanagisawa K and Akiyama Y.}, title = {Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph}, booktitle = {In Proceedings of the 2019 International Conference on Parallel and Distributed Processing Techniques & Applications (PDPTA'19)}, year = 2019, } @inproceedings{CTT100851740, author = {Aoyama K and Yamamoto Y and Ohue M and Akiyama Y.}, title = {Performance evaluation of MEGADOCK protein–protein interaction prediction system implemented with distributed containers on a cloud computing environment}, booktitle = {IPSJ SIG Technical Report}, year = 2019, } @inproceedings{CTT100810739, author = {松野駿平 and 大上雅史 and 秋山泰.}, title = {マルチドメインタンパク質の相互作用残基ペア予測を用いた立体構造予測手法の改良}, booktitle = {研究報告バイオ情報学(BIO)}, 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{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{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{CTT100810733, author = {林 孝紀 and 大上 雅史 and 秋山 泰.}, title = {代表タンパク質構造群との構造アラインメントスコアプロファイルに基づくタンパク質間相互作用予測の高速化}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2019, } @inproceedings{CTT100810736, author = {伊井 良太 and 柳澤 渓甫 and 大上 雅史 and 秋山 泰}, title = {分子グラフ上の距離を考慮したグラフ畳込みニューラルネットワークによる化合物活性予測}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2019, } @inproceedings{CTT100809992, author = {Masahito Ohue and Takanori Hayashi and Yuri Matsuzaki and Keisuke Yanagisawa and Yutaka Akiyama}, title = {Megadock-Web: An Integrated Database of High-Throughput Structure-Based Protein-Protein Interaction Predictions}, booktitle = {}, year = 2019, } @misc{CTT100851590, author = {大上雅史 and 林孝紀 and 秋山泰}, title = {タンパク質間相互作用と複合体構造の予測結果を検索できるウェブサイト「MEGADOCK-Web」}, year = 2019, }