@article{CTT100920684,
  author = {Keisuke Yanagisawa and Takuya Fujie and Kazuki Takabatake and Yutaka Akiyama},
  title = {QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking},
  journal = {Entropy},
  year = 2024,
}

@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{CTT100920693,
  author = {Masatake Sugita and Takuya Fujie and Yudai Noso and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  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{CTT100876345,
  author = {Masatake Sugita and Satoshi Sugiyama and Takuya Fujie and Yasushi Yoshikawa and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  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{CTT100876344,
  author = {Masatake Sugita and Satoshi Sugiyama and Takuya Fujie and Yasushi Yoshikawa and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  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 = {Masatake Sugita and Satoshi Sugiyama and Takuya Fujie and Yasushi Yoshikawa and Keisuke Yanagisawa and Masahito Ohue and Yutaka Akiyama},
  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 = {Yudai Noso and Masatake Sugita and Takuya Fujie and Keisuke Yanagisawa and Hirokuni AKIYAMA},
  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{CTT100893467,
  author = {Jianan Li and Keisuke Yanagisawa and Masatake Sugita and Takuya Fujie and Masahito Ohue and Yutaka Akiyama},
  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},
  year = 2023,
}

@misc{CTT100876279,
  author = {Yudai Noso and Masatake Sugita and Takuya Fujie and Keisuke Yanagisawa and Masahito Ohue and Hirokuni AKIYAMA},
  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},
  year = 2022,
}