Mitsunori Ikeguchi

Publication Activity (10 Years)

Years Active: 1998-2024
Publications (10 Years): 10

Top Topics

Mass Spectrometry

Protein Structure

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

Publications

Masao Inoue, Toru Ekimoto, Tsutomu Yamane, Mitsunori Ikeguchi
Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model. J. Chem. Inf. Model. 64 (9) (2024)
Kei Moritsugu, Toru Ekimoto, Mitsunori Ikeguchi, Akinori Kidera
Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease. J. Chem. Inf. Model. 63 (1) (2023)
Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. 63 (24) (2023)
Kosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome
gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins. J. Chem. Inf. Model. 62 (18) (2022)
Toru Ekimoto, Takafumi Kudo, Tsutomu Yamane, Mitsunori Ikeguchi
Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations. J. Chem. Inf. Model. 61 (7) (2021)
Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor. J. Chem. Inf. Model. 61 (7) (2021)
Koichiro Kato, Tomohide Masuda, Chiduru Watanabe, Naoki Miyagawa, Hideo Mizouchi, Shumpei Nagase, Kikuko Kamisaka, Kanji Oshima, Satoshi Ono, Hiroshi Ueda, Atsushi Tokuhisa, Ryo Kanada, Masateru Ohta, Mitsunori Ikeguchi, Yasushi Okuno, Kaori Fukuzawa, Teruki Honma
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. J. Chem. Inf. Model. 60 (7) (2020)
Takashi Yoshidome, Mitsunori Ikeguchi, Masateru Ohta
Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures. J. Comput. Chem. 41 (28) (2020)
Shuntaro Chiba, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi
Force-field parametrization based on radial and energy distribution functions. J. Comput. Chem. 40 (29) (2019)
Tatsuya Yamada, Tomohiko Hayashi, Simon Hikiri, Naohiro Kobayashi, Hiroshi Yanagawa, Mitsunori Ikeguchi, Masato Katahira, Takashi Nagata, Masahiro Kinoshita
How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM2? J. Chem. Inf. Model. 59 (8) (2019)
Yuko Ito, Mitsunori Ikeguchi
-ATPase: A molecular dynamics study. J. Comput. Chem. 31 (11) (2010)
Satoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi, Akinori Kidera
Linear response theory in dihedral angle space for protein structural change upon ligand binding. J. Comput. Chem. 30 (16) (2009)
Mitsunori Ikeguchi
Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes. J. Comput. Chem. 25 (4) (2004)
Shugo Nakamura, Daisuke Kyono, Mitsunori Ikeguchi, Kentaro Shimizu
New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates. J. Comput. Chem. 23 (4) (2002)
Hiroshi Yoshikawa, Mitsunori Ikeguchi, Shugo Nakamura, Kentaro Shimizu, Junta Doi
Prediction of protein structure classes and secondary structures by means of hidden Markov models. Systems and Computers in Japan 30 (13) (1999)
Shugo Nakamura, Mitsunori Ikeguchi, Kentaro Shimizu
Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates. J. Comput. Chem. 19 (15) (1998)