@article{CTT100920685, author = {Genki Kudo and Keisuke Yanagisawa and Ryunosuke Yoshino and Takatsugu Hirokawa}, title = {AAp-MSMD: Amino Acid Preference Mapping on Protein–Protein Interaction Surfaces Using Mixed-Solvent Molecular Dynamics}, journal = {Journal of Chemical Information and Modeling}, year = 2023, } @article{CTT100869173, author = {Keisuke Yanagisawa and Ryunosuke Yoshino and Genki Kudo and Takatsugu Hirokawa}, title = {Inverse Mixed-Solvent Molecular Dynamics for Visualization of the Residue Interaction Profile of Molecular Probes}, journal = {International Journal of Molecular Sciences}, year = 2022, } @article{CTT100810746, author = {Shuntaro Chiba and Masahito Ohue and Anastasiia Gryniukova and Petro Borysko and Sergey Zozulya and Nobuaki Yasuo and Ryunosuke Yoshino and Kazuyoshi Ikeda and Woong-Hee Shin and Daisuke Kihara and Mitsuo Iwadate and Hideaki Umeyama and Takaaki Ichikawa and Reiji Teramoto and Kun-Yi Hsin and Vipul Gupta and Hiroaki Kitano and Mika Sakamoto and Akiko Higuchi and Nobuaki Miura and Kei Yura and Masahiro Mochizuki and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and M. Michael Gromiha and Itsuo Nakane and Nanako Uchida and Hayase Hakariya and Modong Tan and Hironori Nakamura and Shogo Suzuki and Tomoki Ito and Masahiro Kawatani and Kentaroh Kudoh and Sakurako Takashina and Kazuki Yamamoto and Yoshitaka Moriwaki and Keita Oda and Daisuke Kobayashi and Tatsuya Okuno and Shintaro Minami and George Chikenji and Philip Prathipati and Chioko Nagao and Attayeb Mohsen and Mari Ito and Kenji Mizuguchi and Teruki Honma and Takashi Ishida and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima.}, title = {A prospective compound screening contest identified broader inhibitors for Sirtuin 1}, journal = {Scientific Reports}, year = 2019, } @article{CTT100766244, author = {Shuntaro Chiba and Takashi Ishida and Kazuyoshi Ikeda and Masahiro Mochizuki and Reiji Teramoto and Y-h. Taguchi and Mitsuo Iwadate and Hideaki Umeyama and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and M. Michael Gromiha and Tatsuya Okuno and Koya Kato and Shintaro Minami and George Chikenji and Shogo D. Suzuki and Keisuke Yanagisawa and Woong-Hee Shin and Daisuke Kihara and Kazuki Z. Yamamoto and Yoshitaka Moriwaki and Nobuaki Yasuo and Ryunosuke Yoshino and Sergey Zozulya and Petro Borysko and Roman Stavniichuk and Teruki Honma and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima}, title = {An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes}, journal = {Scientific Reports}, year = 2017, } @article{CTT100709036, author = {Shuntaro Chiba and Kazuyoshi Ikeda and Takashi Ishida and M. Michael Gromiha and Y-h. Taguchi and Mitsuo Iwadate and Hideaki Umeyama and Kun-Yi Hsin and Hiroaki Kitano and Kazuki Yamamoto and Nobuyoshi Sugaya and Koya Kato and Tatsuya Okuno and George Chikenji and Masahiro Mochizuki and Nobuaki Yasuo and Ryunosuke Yoshino and Keisuke Yanagisawa and Tomohiro Ban and Reiji Teramoto and Chandrasekaran Ramakrishnan and A. Mary Thangakani and D. Velmurugan and Philip Prathipati and Junichi Ito and Yuko Tsuchiya and Kenji Mizuguchi and Teruki Honma and Takatsugu Hirokawa and Yutaka Akiyama and Masakazu Sekijima}, title = {Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target}, journal = {Scientific Reports}, year = 2015, } @inproceedings{CTT100920687, author = {Jun Koseki and Chie Motono and Keisuke Yanagisawa and Genki Kudo and Ryunosuke Yoshino and Takatsugu Hirokawa and Kenichiro Imai}, title = {Development of the Cryptic Site searching method with Mixed-solvent molecular dynamics and Topological data analyses methods}, booktitle = {}, year = 2024, } @inproceedings{CTT100920686, author = {Chie Motono and Jun Koseki and Keisuke Yanagisawa and Genki Kudo and Ryunosuke Yoshino and Takatsugu Hirokawa and Kenichiro Imai}, title = {Cryptic site detection using machine learning based on mixed-solvent molecular dynamics simulations results}, booktitle = {}, year = 2024, } @inproceedings{CTT100920688, author = {Keisuke Yanagisawa and Ryunosuke Yoshino and Genki Kudo and Takatsugu Hirokawa}, title = {Quantitative Evaluation of Protein-Compound Substructure Interaction with Inverse Mixed-Solvent Molecular Dynamics Simulation}, booktitle = {}, year = 2024, } @inproceedings{CTT100920692, author = {柳澤 渓甫 and 吉野 龍ノ介 and 工藤 玄己 and 広川 貴次}, title = {Inverse MSMDシミュレーションによるタンパク質-化合物部分構造相互作用定量的評価手法の開発}, booktitle = {}, year = 2024, } @inproceedings{CTT100920698, author = {本野 千恵 and 柳澤 渓甫 and 工藤 玄己 and 吉野 龍ノ介 and 広川 貴次 and 今井 賢一郎}, title = {共溶媒分子動力学シミュレーションによるクリプティックサイト予測}, booktitle = {}, year = 2024, } @inproceedings{CTT100920699, author = {Keisuke Yanagisawa and Ryunosuke Yoshino and Genki Kudo and Takatsugu Hirokawa}, title = {Quantitative Evaluation of Protein-Chemical Substructure Interaction with Inverse Mixed-Solvent Molecular Dynamics Simulation}, booktitle = {}, year = 2023, } @inproceedings{CTT100920701, author = {Keisuke Yanagisawa and Ryunosuke Yoshino and Genki Kudo and Takatsugu Hirokawa}, title = {Quantitative Estimation of Protein-Chemical Substructure Interaction with Inverse Mixed-Solvent Molecular Dynamics Simulation}, booktitle = {}, year = 2023, } @inproceedings{CTT100715131, author = {Nobuyuki Uchikoga and Yuri Matsuzaki and Masahito Ohue and Takatsugu Hirokawa and Yutaka Akiyama}, title = {Analysis of protein docking decoys in terms of physicochemical properties of protein surfaces using rigid-body docking process}, booktitle = {}, year = 2015, } @inproceedings{CTT100715136, author = {Nobuyuki Uchikoga and Yuri Matsuzaki and Masahito Ohue and Takatsugu Hirokawa and Yutaka Akiyama}, title = {Analysis of amino acid properties in interaction surfaces of decoys generated by re-docking}, booktitle = {}, year = 2015, } @inproceedings{CTT100715177, author = {内古閑伸之 and 松崎由理 and 大上雅史 and 広川貴次 and 秋山泰}, title = {Analysis of properties of protein-protein interaction surface areas involved in more near-native conmplexes by Re-docking scheme}, booktitle = {}, year = 2014, } @inproceedings{CTT100876463, author = {Nobuyuki Uchikoga and Yuri Matsuzaki and Masahito Ohue and Takatsugu Hirokawa and Yutaka Akiyama}, title = {Re-docking scheme of protein-protein interactions for generating near-native interaction patterns in difficult docking cases}, booktitle = {}, year = 2013, }