@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{CTT100776745, author = {Naomi Wakayama and Kota Toshimoto and Kazuya Maeda and Shun Hotta and Takashi Ishida and Yutaka Akiyama and Yuichi Sugiyama}, title = {In Silico Prediction of Major Clearance Pathways of Drugs among 9 Routes with Two-Step Support Vector Machines}, journal = {Pharmaceutical Research}, year = 2018, } @article{CTT100795121, author = {Wakayama N and Toshimoto K and Maeda K and Hotta S and Ishida T and Akiyama Y and Sugiyama Y.}, title = {In Silico Prediction of Major Clearance Pathways of Drugs among 9 Routes with Two-Step Support Vector Machines}, journal = {Pharmaceutical Research}, year = 2018, } @article{CTT100776743, author = {Masahiro Mochizuki and Shogo Suzuki and Yanagisawa K and Ohue M and Akiyama Y.}, title = {QEX: target-specific druglikeness filter enhances ligand-based virtual screening}, journal = {Molecular Diversity}, year = 2018, } @article{CTT100766872, author = {Yanagisawa K and Komine S and Kubota R and Ohue M and Akiyama Y.}, title = {Optimization of memory use of fragment extension-based protein–ligand docking with an original fast minimum cost flow algorithm}, journal = {Computational Biology and Chemistry (In Proc. APBC2018)}, year = 2018, } @article{CTT100766870, author = {Shogo Suzuki and Masahito Ohue and Yutaka Akiyama}, title = {PKRank: a novel learning-to-rank method for ligand-based virtual screening using pairwise kernel and RankSVM}, journal = {Artificial Life and Robotics}, year = 2018, } @article{CTT100766873, author = {Hayashi T and Matsuzaki Y and Yanagisawa K and Ohue M and Akiyama Y.}, title = {MEGADOCK-Web: an integrated database of high-throughput structure-based protein-protein interaction predictions}, journal = {BMC Bioinformatics (In Proc. APBC2018)}, year = 2018, } @article{CTT100766871, author = {Ban T and Masahito O and Yutaka Akiyama}, title = {Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem}, journal = {Computational Biology and Chemistry}, year = 2018, } @article{CTT100766874, author = {Ramakrishnan C and Thangakani AM and Velmurugan D and Krishnan DA and Sekijima M and Akiyama Y and Gromiha MM.}, title = {Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques}, journal = {Journal of Biomolecular Structure and Dynamics}, year = 2018, } @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, } @inproceedings{CTT100809993, author = {Masahito Ohue and Takanori Hayashi and Hiroki Watanabe and Yuri Matsuzaki and Nobuyuki Uchikoga and Yutaka Akiyama}, title = {Supercomputing-based exhaustive protein-protein interaction prediction and its open database.}, booktitle = {}, year = 2018, } @inproceedings{CTT100776748, author = {久保田陸人 and 柳澤渓甫 and 大上雅史 and 秋山泰}, title = {共通な部分構造の再利用アルゴリズムを用いたタンパク質リガンドドッキング手法の開発}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100776749, author = {多治見隆志 and 和久井直樹 and 大上雅史 and 秋山泰}, title = {複数のLasso回帰解に基づく解釈性の良い予測モデルを目指した環状ペプチド医薬品の体内安定性予測}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100776751, author = {渡辺紘生 and 林孝紀 and 大上雅史 and 秋山泰}, title = {ミトコンドリアに関連したヒトタンパク質間相互作用予測データベースMEGADOCK-Web-Mitoの開発}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100776756, author = {青山健人 and 大上雅史 and 秋山泰}, title = {生命情報解析分野におけるコンテナ型仮想化技術の動向と性能検証}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100776753, author = {後藤公太 and 大上雅史 and 石田貴士 and 秋山泰}, title = {配列相同性検索ツールGHOSTZ-GPUのMPI環境における高速化}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100766886, author = {後藤公太 and 大上雅史 and 石田貴士 and 秋山泰}, title = {配列相同性検索ツールGHOSTZ-GPUのMPI環境における高速化}, booktitle = {情報処理学会研究報告}, year = 2018, } @inproceedings{CTT100766887, author = {山本悠生 and 大上雅史 and 秋山泰.}, title = {クラウド上の分散GPU環境におけるタンパク質間相互作用予測計算フレームワークの開発}, booktitle = {研究報告バイオ情報学(BIO)}, year = 2018, } @inproceedings{CTT100776754, author = {山本悠生 and 大上雅史 and 秋山泰}, title = {クラウド上の分散GPU環境におけるタンパク質間相互作用予測計算フレームワークの開発}, booktitle = {}, year = 2018, }