@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{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{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{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{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{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}, year = 2023, } @misc{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}, year = 2022, }