Mitsugu Araki

发表

Improving the Accuracy of Protein‐Ligand Binding Mode Prediction Using a Molecular Dynamics‐Based Pocket Generation Approach

Koji Tsuda, Biao Ma, Hiroaki Iwata, 2018, J. Comput. Chem..

The Effect of Conformational Flexibility on Binding Free Energy Estimation between Kinases and Their Inhibitors

Masahiko Nakatsui, Takatsugu Hirokawa, Yasushi Okuno, 2016, J. Chem. Inf. Model..

Extraction of Protein Dynamics Information Hidden in Cryogenic Electron Microscopy Maps Using Deep Learning

Yasushi Okuno, Mitsugu Araki, Kei Terayama, 2020, bioRxiv.

Vision Inspection Automation for Yarn Breakage of Warp Knitted Fabric

Yue Bao, Takayuki Nakata, Yutaro Koya, 2017 .

Machine learning accelerates MD-based binding pose prediction between ligands and proteins

Koji Tsuda, Hiroaki Iwata, Yasushi Okuno, 2017, Bioinform..

Exhaustive search of the configurational space of heat‐shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking

Mitsugu Araki, Narutoshi Kamiya, Gert-Jan Bekker, 2020, J. Comput. Chem..

画像処理を用いた経編ニット製品の欠陥検出;画像処理を用いた経編ニット製品の欠陥検出;An Inspection for Warp Knitted Fabric Using Image Processing

Takayuki Nakata, Yutaro Koya, Mitsugu Araki, 2013 .

Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations

Yasushi Okuno, Mitsugu Araki, Kei Terayama, 2021, J. Chem. Inf. Model..

Structure-Based De Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations

Yasushi Okuno, Mitsugu Araki, Kei Terayama, 2021 .

Extraction of protein dynamics information from cryo-EM maps using deep learning

Yasushi Okuno, Mitsugu Araki, Takayuki Kato, 2021, Nature Machine Intelligence.

Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking

Yasushi Okuno, Mitsugu Araki, Narutoshi Kamiya, 2021, J. Chem. Inf. Model..

Brigatinib combined with anti-EGFR antibody overcomes osimertinib resistance in EGFR-mutated non-small-cell lung cancer

Yasushi Okuno, Ryohei Katayama, Mitsugu Araki, 2017, Nature Communications.

Accurate Prediction of Complex Structure and Affinity for a Flexible Protein Receptor and Its Inhibitor.

Haruki Nakamura, Yasushi Okuno, Mitsugu Araki, 2017, Journal of chemical theory and computation.

Molecular dynamics simulation-guided drug sensitivity prediction for lung cancer with rare EGFR mutations

Shingo Matsumoto, Fumie Ono, Koichi Goto, 2019, Proceedings of the National Academy of Sciences.

In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras–effector interaction

Jiro Shimada, Takashi Kumasaka, Masaki Yamamoto, 2013, Proceedings of the National Academy of Sciences.

Structural Basis for Conformational Dynamics of GTP-bound Ras Protein*

Takashi Kumasaka, Masaki Yamamoto, Mitsugu Araki, 2010, The Journal of Biological Chemistry.

Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations.

Yasushi Okuno, Mitsugu Araki, Narutoshi Kamiya, 2019, The journal of physical chemistry. B.

Transformation of an α‐helix peptide into a β‐hairpin induced by addition of a fragment results in creation of a coexisting state

Mitsugu Araki, A. Tamura, M. Araki, 2006, Proteins.