@article{CTT100893464,
  author = {Jianan Li and Keisuke Yanagisawa and Masatake Sugita and Takuya Fujie and Masahito Ohue and Yutaka Akiyama},
  title = {CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides},
  journal = {Journal of Chemical Information and Modeling},
  year = 2023,
}

@article{CTT100883527,
  author = {Masatake Sugita and Takuya Fujie and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  title = {Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations},
  journal = {Journal of Chemical Information and Modeling},
  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,
}

@inproceedings{CTT100925880,
  author = {Taisuke Boku and Masatake Sugita and Ryohei Kobayashi and Shinnosuke Furuya and Takuya Fujie and Masahito Ohue and Yutaka Akiyama},
  title = {Improving Performance on Replica-Exchange Molecular Dynamics Simulations by Optimizing GPU Core Utilization},
  booktitle = {Proceedings of the 53rd International Conference on Parallel Processing (ICPP2024)},
  year = 2024,
}

@inproceedings{CTT100920693,
  author = {杉田 昌岳 and 藤江 拓哉 and 能祖 雄大 and 柳澤 渓甫 and 大上 雅史 and 秋山 泰},
  title = {拡張アンサンブル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性予測技術の開発と応用},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100920689,
  author = {Masatake Sugita and Takuya Fujie and Yudai Noso and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  title = {Development and Application of a Protocol for Predicting Membrane Permeability of Cyclic Peptides Based on Molecular Dynamics Simulations},
  booktitle = {},
  year = 2024,
}

@inproceedings{CTT100920700,
  author = {Masatake Sugita and Takuya Fujie and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  title = {Development of a Protocol for Predicting Membrane Permeability of Cyclic Peptides Based on Molecular Dynamics Simulations},
  booktitle = {},
  year = 2023,
}

@inproceedings{CTT100893467,
  author = {李 佳男 and 柳澤 渓甫 and 杉田 昌岳 and 藤江 拓哉 and 大上 雅史 and 秋山 泰},
  title = {CycPeptMPDB：包括的な環状ペプチド膜透過率データベースの開発},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2023,
}

@inproceedings{CTT100876279,
  author = {能祖雄大 and 杉田昌岳 and 藤江拓哉 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軌跡データからの環状ペプチドの膜透過性と相関が高い特徴量の抽出},
  booktitle = {研究報告バイオ情報学（BIO）},
  year = 2022,
}

@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{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{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{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,
}

@misc{CTT100920695,
  author = {能祖雄大 and 杉田昌岳 and 藤江拓哉 and 柳澤渓甫 and 秋山泰},
  title = {分子動力学シミュレーション軌跡データから抽出した位置依存特徴量を活用した環状ペプチドの膜透過性予測},
  year = 2024,
}

@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)}
}