@article{CTT100839065,
  author = {Sho Ito and Akinobu Senoo and Satoru Nagatoishi and Masahito Ohue and Masaki Yamamoto and Kouhei Tsumoto and Naoki Wakui},
  title = {Structural basis for binding mechanism of human serum albumin complexed with cyclic peptide dalbavancin},
  journal = {Journal of Medicinal Chemistry},
  year = 2020,
}

@article{CTT100839067,
  author = {Guillaume Launay and Masahito Ohue and Julia Prieto Santero and Yuri Matsuzaki and Cécile Hilpert and Nobuyuki Uchikoga and Takanori Hayashi and Juliette Martin},
  title = {Evaluation of CONSRANK-like scoring functions for rescoring ensembles of protein-protein docking poses},
  journal = {Frontiers in Molecular Biosciences},
  year = 2020,
}

@article{CTT100839090,
  author = {Shumpei Matsuno and Masahito Ohue and Yutaka Akiyama},
  title = {Multidomain protein structure prediction using information about residues interacting on multimeric protein interfaces},
  journal = {Biophysics and Physicobiology},
  year = 2020,
}

@article{CTT100839089,
  author = {Kento Aoyama and Masanori Kakuta and Yuri Matsuzaki and Takashi Ishida and Masahito Ohue and Yutaka Akiyama},
  title = {Development of computational pipeline software for genome/exome analysis on the K computer},
  journal = {Supercomputing Frontiers and Innovations},
  year = 2020,
}

@inproceedings{CTT100851821,
  author = {大上雅史 and 山本一樹},
  title = {フォーラム2F-11/インシリコ創薬を支える最先端情報科学},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851824,
  author = {大上雅史},
  title = {並列計算を駆使したタンパク質間相互作用予測},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839083,
  author = {大上雅史},
  title = {超並列計算と機械学習による創薬支援インフォマティクス},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100876346,
  author = {大上雅史},
  title = {超並列計算と機械学習による創薬支援インフォマティクス},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839084,
  author = {大上雅史},
  title = {創薬・生命科学研究を加速するインフォマティクス技術},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839082,
  author = {杉田駿也 and 大上雅史},
  title = {自由エネルギー計算を利用した薬剤標的相互作用予測手法の検討},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839085,
  author = {大上雅史},
  title = {薬のタネを探すインフォマティクス技術},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851835,
  author = {大上雅史 and 青山建人 and 秋山泰},
  title = {GPUスパコンによる細胞スケールのタンパク質間相互作用予測},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839077,
  author = {Masahito Ohue and Kento Aoyama and Yutaka Akiyama},
  title = {High-performance cloud computing for exhaustive protein-protein docking},
  booktitle = {IPSJ Technical Report},
  year = 2020,
}

@inproceedings{CTT100839094,
  author = {Kento Aoyama and Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama},
  title = {Multiple HPC environments-aware container image configuration workflow for large-scale all-to-all protein-protein docking calculations},
  booktitle = {Lecture Notes in Computer Science},
  year = 2020,
}

@inproceedings{CTT100851612,
  author = {Kazuki Izawa and K Shibayama and Masahito Ohue and Takashi Ishida and Kazuyuki Ishihara and Yutaka Akiyama},
  title = {The shifts in bacterial community and gene category composition between healthy sites and periodontal disease sites},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839078,
  author = {渡辺紘生 and 大上雅史 and 秋山泰},
  title = {マルチノード・マルチGPU上での網羅的なタンパク質間相互作用予測の高速化},
  booktitle = {情報処理学会研究報告},
  year = 2020,
}

@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{CTT100839081,
  author = {高畠和輝 and 伊澤和輝 and 秋川元宏 and 大上雅史 and 秋山泰},
  title = {圧縮アミノ酸を利用した二段階のシード探索によるメタゲノム配列相同性検索の改良},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2020,
}

@inproceedings{CTT100851625,
  author = {Yuki Tsushima and Masahito Ohue and Yutaka Akiyama},
  title = {Development of fragment linking method for beyond rule of five},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851626,
  author = {Masaya Inagaki and Masahito Ohue and Yutaka Akiyama},
  title = {Fragment Linking with DQN},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851627,
  author = {Takuya Fujie and Masatake Sugita and Satoshi Sugiyama and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama},
  title = {Conformational Sampling with Molecular Dynamics Simulation for Prediction of Membrane Permeability of Cyclic Peptide},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839070,
  author = {Masahito Ohue},
  title = {Supercomputing-based exhaustive protein-protein interaction prediction with MEGADOCK},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839075,
  author = {Masahito Ohue and Shogo D. Suzuki and Yutaka Akiyama},
  title = {PKRank & SPDRank - Learning-to-rank methods for machine-learning-based drug discovery},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851630,
  author = {Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama},
  title = {Exhaustive protein-protein interaction prediction using MEGADOCK on a large-scale HPC environment},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851634,
  author = {Kento Aoyama and Hiroki Watanabe and Masahito Ohue and Yutaka Akiyama},
  title = {Multiple HPC Environments-Aware Container Image Configuration Workflow for Large-Scale All-to-All Protein-Protein Docking Calculations},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851637,
  author = {Li Jianan and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama},
  title = {Prediction of plasma protein binding for cyclic peptides by deep learning and molecular docking},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851638,
  author = {Max Druyvesteyn and Masahito Ohue and Yutaka Akiyama},
  title = {Improved protein-protein docking using arbitrary docking-derived protein interface predictions},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851639,
  author = {Satoshi Sugiyama and Yasushi Yoshikawa and Masahito Ohue and Yutaka Akiyama},
  title = {Development of Membrane Permeability Prediction System for Cyclic Peptide: Large-Scale Molecular Dynamics Simulations},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100851641,
  author = {Shunpei Matsuno and Masahito Ohue and Yutaka Akiyama},
  title = {Multidomain protein structure prediction using information about residues interacting on multimeric protein interfaces},
  booktitle = {},
  year = 2020,
}

@inproceedings{CTT100839086,
  author = {大上雅史},
  title = {薬のタネ探しを支援する計算技術},
  booktitle = {},
  year = 2020,
}

@misc{CTT100839069,
  author = {大上雅史},
  title = {構造情報に基づくタンパク質間相互作用の計算予測},
  year = 2020,
}

@misc{CTT100839091,
  author = {大上雅史},
  title = {ほにゃららインフォマティクスの未来},
  year = 2020,
}