Hybrid QM/MM Free-Energy Evaluation of Drug-Resistant Mutational Effect on the Binding of an Inhibitor Indinavir to HIV‑1 Protease von Taguchi, Masahiko, Oyama, Ryo, Kaneso, Masahiro, Hayashi, Shigehiko

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Ab Initio Evaluation of the Redox Potential of Cytochrome c von Cheng, Cheng, Hayashi, Shigehiko

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Atomistic modeling of alternating access of a mitochondrial ADP/ATP membrane transporter with molecular simulations von Tamura, Koichi, Hayashi, Shigehiko

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Facile Catch and Release of Fullerenes Using a Photoresponsive Molecular Tube von Kishi, Norifumi, Akita, Munetaka, Kamiya, Motoshi, Hayashi, Shigehiko, Hsu, Hsiu-Fu, Yoshizawa, Michito

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Photoactivation Intermediates of a G‑Protein Coupled Receptor Rhodopsin Investigated by a Hybrid Molecular Simulation von Kamiya, Motoshi, Hayashi, Shigehiko

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Crystal structure of the channelrhodopsin light-gated cation channel von Kato, Hideaki E., Zhang, Feng, Yizhar, Ofer, Ramakrishnan, Charu, Nishizawa, Tomohiro, Hirata, Kunio, Ito, Jumpei, Aita, Yusuke, Tsukazaki, Tomoya, Hayashi, Shigehiko, Hegemann, Peter, Maturana, Andrés D., Ishitani, Ryuichiro, Deisseroth, Karl, Nureki, Osamu

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A computational method to simulate global conformational changes of proteins induced by cosolvent von Tanimoto, Shoichi, Tamura, Koichi, Hayashi, Shigehiko, Yoshida, Norio, Nakano, Haruyuki

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Molecular Mechanism of Wide Photoabsorption Spectral Shifts of Color Variants of Human Cellular Retinol Binding Protein II von Cheng, Cheng, Kamiya, Motoshi, Uchida, Yoshihiro, Hayashi, Shigehiko

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Evaluation of a strawberry-harvesting robot in a field test von Hayashi, Shigehiko, Shigematsu, Kenta, Yamamoto, Satoshi, Kobayashi, Ken, Kohno, Yasushi, Kamata, Junzo, Kurita, Mitsutaka

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QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction von Kosugi, Takahiro, Hayashi, Shigehiko

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Cryo-EM structures of thermostabilized prestin provide mechanistic insights underlying outer hair cell electromotility von Futamata, Haon, Fukuda, Masahiro, Umeda, Rie, Yamashita, Keitaro, Tomita, Atsuhiro, Takahashi, Satoe, Shikakura, Takafumi, Hayashi, Shigehiko, Kusakizako, Tsukasa, Nishizawa, Tomohiro, Homma, Kazuaki, Nureki, Osamu

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Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation von Hayashi, Shigehiko, Tajkhorshid, Emad, Schulten, Klaus

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Role of Bulk Water Environment in Regulation of Functional Hydrogen-Bond Network in Photoactive Yellow Protein von Tamura, Koichi, Hayashi, Shigehiko

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Linear Response Path Following: A Molecular Dynamics Method To Simulate Global Conformational Changes of Protein upon Ligand Binding von Tamura, Koichi, Hayashi, Shigehiko

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An Atomistic Model of a Precursor State of Light-Induced Channel Opening of Channelrhodopsin von Cheng, Cheng, Kamiya, Motoshi, Takemoto, Mizuki, Ishitani, Ryuichiro, Nureki, Osamu, Yoshida, Norio, Hayashi, Shigehiko

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A polyaromatic nanocapsule as a sucrose receptor in water von Yamashina, Masahiro, Akita, Munetaka, Hasegawa, Taisuke, Hayashi, Shigehiko, Yoshizawa, Michito

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Development of a Stationary Robotic Strawberry Harvester with a Picking Mechanism that Approaches the Target Fruit from Below von YAMAMOTO, Satoshi, HAYASHI, Shigehiko, YOSHIDA, Hirotaka, KOBAYASHI, Ken

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Author Correction: Cryo-EM structures of thermostabilized prestin provide mechanistic insights underlying outer hair cell electromotility von Futamata, Haon, Fukuda, Masahiro, Umeda, Rie, Yamashita, Keitaro, Tomita, Atsuhiro, Takahashi, Satoe, Shikakura, Takafumi, Hayashi, Shigehiko, Kusakizako, Tsukasa, Nishizawa, Tomohiro, Homma, Kazuaki, Nureki, Osamu

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QM MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins von Hayashi, Shigehiko, Uchida, Yoshihiro, Hasegawa, Taisuke, Higashi, Masahiro, Kosugi, Takahiro, Kamiya, Motoshi

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Molecular Mechanism of ATP Hydrolysis in F1-ATPase Revealed by Molecular Simulations and Single-Molecule Observations von Hayashi, Shigehiko, Ueno, Hiroshi, Shaikh, Abdul Rajjak, Umemura, Myco, Kamiya, Motoshi, Ito, Yuko, Ikeguchi, Mitsunori, Komoriya, Yoshihito, Iino, Ryota, Noji, Hiroyuki

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