@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 = {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{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{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{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, } @misc{CTT100880496, author = {Yutaka Akiyama and Masahito Ohue and Keisuke Yanagisawa and Yasushi Yoshikawa and Masatake Sugita and Satoshi Sugiyama and Shotaro Murata}, 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 = {RegisteredPatent}, year = 2022, month = {}, note = {特願2021-031234(2021/02/26), 特許第7057003号(2022/04/11)} }