"Shuntaro Chiba,Masahito Ohue,Anastasiia Gryniukova,Petro Borysko,Sergey Zozulya,Nobuaki Yasuo,Ryunosuke Yoshino,Kazuyoshi Ikeda,Woong-Hee Shin,Daisuke Kihara,Mitsuo Iwadate,Hideaki Umeyama,Takaaki Ichikawa,Reiji Teramoto,Kun-Yi Hsin,Vipul Gupta,Hiroaki Kitano,Mika Sakamoto,Akiko Higuchi,Nobuaki Miura,Kei Yura,Masahiro Mochizuki,Chandrasekaran Ramakrishnan,A. Mary Thangakani,D. Velmurugan,M. Michael Gromiha,Itsuo Nakane,Nanako Uchida,Hayase Hakariya,Modong Tan,Hironori Nakamura,Shogo Suzuki,Tomoki Ito,Masahiro Kawatani,Kentaroh Kudoh,Sakurako Takashina,Kazuki Yamamoto,Yoshitaka Moriwaki,Keita Oda,Daisuke Kobayashi,Tatsuya Okuno,Shintaro Minami,George Chikenji,Philip Prathipati,Chioko Nagao,Attayeb Mohsen,Mari Ito,Kenji Mizuguchi,Teruki Honma,Takashi Ishida,Takatsugu Hirokawa,Yutaka Akiyama,Masakazu Sekijima.","A prospective compound screening contest identified broader inhibitors for Sirtuin 1",,"Scientific Reports",," 9",,,2019,Dec. "Shuntaro Chiba,Takashi Ishida,Kazuyoshi Ikeda,Masahiro Mochizuki,Reiji Teramoto,Y-h. Taguchi,Mitsuo Iwadate,Hideaki Umeyama,Chandrasekaran Ramakrishnan,A. Mary Thangakani,D. Velmurugan,M. Michael Gromiha,Tatsuya Okuno,Koya Kato,Shintaro Minami,George Chikenji,Shogo D. Suzuki,Keisuke Yanagisawa,Woong-Hee Shin,Daisuke Kihara,Kazuki Z. Yamamoto,Yoshitaka Moriwaki,Nobuaki Yasuo,Ryunosuke Yoshino,Sergey Zozulya,Petro Borysko,Roman Stavniichuk,Teruki Honma,Takatsugu Hirokawa,Yutaka Akiyama,Masakazu Sekijima","An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes",,"Scientific Reports","Nature Publishing Group","Vol. 7","No. 12038","pp. 1-13",2017,Sept. "千葉峻太朗,古田忠臣,清水 青史","Kirkwood-Buff積分に基づく溶液の分子構造を再現する可分極分子力場の検討 ? 尿素溶液を例として","第30回分子シミュレーション討論会",,,,,,2016,Dec. "Shuntaro Chiba,Tadaomi Furuta,Seishi Shimizu","Kirkwood-Buff integrals for aqueous urea solutions based upon the quantum chemical electrostatic potential and interaction energies",,"J.Phys. Chem. B",,"vol. 120","no. 31","pp. 7714-7723",2016,Aug. "Tomoka Hagiya,Norio Yoshida,Shuntaro Chiba,Tomohiko Hayashi,Tadaomi Furuta,Minoru Sakurai","3D-RISM study of water-meditated forces between the nucleotide binding domains responsible for the power stroke in an ABC transporter","The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem 2015)",,,,,,2015,Dec. "Tomohiko Hayashi,Shuntaro Chiba,Tadaomi Furuta,Minoru Sakurai","Free energy calculation for the ATP-induced dimerization of the nucleotide-binding domains in a maltose transporter: Importance of the water-mediated entropic force","The International Chemical Congress of Pacific Basin Societies 2015 (Pacifichem 2015)",,,,,,2015,Dec. "Shuntaro Chiba,Kazuyoshi Ikeda,Takashi Ishida,M. Michael Gromiha,Y-h. Taguchi,Mitsuo Iwadate,Hideaki Umeyama,Kun-Yi Hsin,Hiroaki Kitano,Kazuki Yamamoto,Nobuyoshi Sugaya,Koya Kato,Tatsuya Okuno,George Chikenji,Masahiro Mochizuki,Nobuaki Yasuo,Ryunosuke Yoshino,Keisuke Yanagisawa,Tomohiro Ban,Reiji Teramoto,Chandrasekaran Ramakrishnan,A. Mary Thangakani,D. Velmurugan,Philip Prathipati,Junichi Ito,Yuko Tsuchiya,Kenji Mizuguchi,Teruki Honma,Takatsugu Hirokawa,Yutaka Akiyama,Masakazu Sekijima","Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target",,"Scientific Reports",,"Vol. 5","No. 17209",,2015,Nov. "和久井直樹,大上雅史,千葉峻太朗,石田貴士,岩?博史,秋山泰","既知の活性/非活性化合物のドッキング解析によるバーチャルスクリーニングに適したタンパク質立体構造モデルの選択","情報処理学会 第42回バイオ情報学研究会","研究報告バイオ情報学(BIO)","情報処理学会"," 2015-BIO-42"," 60"," 1-4",2015,June "Tomoka Furukawa-Hagiya,Norio Yoshida,Shuntaro Chiba,Tomohiko Hayashi,Tadaomi Furuta,Yoshiro Sohma,Minoru Sakurai","Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter",,"Chem. Phys. Lett.",,"vol. 616-617",,"pp. 165-170",2014,Nov. "Tomohiko Hayashi,Shuntaro Chiba,Yusuke Kaneta,Tadaomi Furuta,Minoru Sakurai","ATP-induced conformational changes of nucleotide-binding domains in an ABC transporter. Importance of the water-mediated entropic force",,"J. Phys. Chem. B",,"vol. 118","no. 44","pp. 12612-12620",2014,Nov. "Hiroyuki Tamura,Shuntaro Chiba,Tadaomi Furuta,Shun Sakuraba,Nobuyuki Matubayasi,Minoru Sakurai","Study of the mechanism of the light-driven ion transport in halorhodopsin based on the free energy calculations","16th International Conference on Retinal Proteins",,,,,,2014,Oct. "林智彦,萩谷朋佳,千葉峻太朗,古田忠臣,吉田紀生,櫻井 実","ABCトランスポーターのヌクレオチド結合ドメイン二量体化の理論的解析―ATPと水の役割","第51回日本生物物理学会年会",,,,,,2013,Oct. "田村浩之,千葉峻太朗,古田忠臣,櫻庭俊,松林伸幸,櫻井実","自由エネルギー計算によるハロロドプシンの光駆動イオン輸送メカニズムの解析","第51回日本生物物理学会年会",,,,,,2013,Oct. "Yurika Watanabe,Wei-Lin Hsu,Shuntaro Chiba,Tomohiko Hayashi,Tadaomi Furuta,Minoru Sakurai","Dynamics and structural changes induced by ATP and/or substrate binding in the inward-facing conformation state of P-glycoprotein",,"Chem. Phys. Lett.",,"vol. 557",,"pp. 145-149",2013,Feb. "Tomoka Furukawa-Hagiya,Tadaomi Furuta,Shuntaro Chiba,Yoshiro Sohma,Minoru Sakurai","The power stroke driven by ATP binding in CFTR as studied by molecular dynamics simulations",,"J. Phys. Chem. B",,"vol. 117","no. 1","pp. 83-93",2013,Jan. "萩谷 朋佳,古田 忠臣,千葉 峻太朗,相馬 義郎,櫻井 実","ATP-Binding induced conformational change in CFTR as studied by MD simulation","第50回日本生物物理学会年会",,,,,,2012,Sept. "金田 祐輔,千葉 峻太朗,古田 忠臣,櫻井 実","ABCトランスポーターのヌクレオチド結合ドメインに対するATP結合自由エネルギー計算","第50回日本生物物理学会年会",,,,,,2012,Sept. "千葉峻太朗,古田忠臣,櫻井実","MM-PB/SA法によるタンパク質リガンド間結合自由エネルギー計算の再現性向上を目指して","第12回日本蛋白質科学会年会",,,,,,2012,June "金田祐輔,千葉峻太朗,古田忠臣,櫻井実","ABCトランスポーターのヌクレオチド結合ドメインへのATPの結合エネルギーの計算","第12回日本蛋白質科学会年会",,,,,,2012,June "萩谷朋佳,千葉峻太朗,古田忠臣,相馬義郎,櫻井実","MDシミュレーションによるCFTRタンパク質のATP結合誘導NBD二量体化の解析","第12回日本蛋白質科学会年会",,,,,,2012,June "Shuntaro Chiba,Yuichi Harano,Roland Roth,Masahiro Kinoshita,Minoru Sakurai","Evaluation of protein-ligand binding free energy focused on its entropic components",,"J. Comput. Chem.",,"volume 33",,"page 550",2011,Dec.