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ORCIDMitsunori Ikeguchi
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2020 – today
- 2024
[j16]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): 3884-3895 (2024)- 2023
- [j15]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): 240-250 (2023) - [j14]Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi:
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. 63(24): 7860-7872 (2023) - 2022
- [j13]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): 4460-4473 (2022) - 2021
- [j12]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): 3583-3592 (2021) - [j11]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): 3625-3637 (2021) - 2020
- [j10]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): 2406-2419 (2020) - [j9]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): 3361-3368 (2020)
2010 – 2019
- 2019
- [j8]Shuntaro Chiba, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi:
Force-field parametrization based on radial and energy distribution functions. J. Comput. Chem. 40(29): 2577-2585 (2019) - [j7]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): 3533-3544 (2019) - 2010
- [j6]Yuko Ito, Mitsunori Ikeguchi:
Structural fluctuation and concerted motions in F1-ATPase: A molecular dynamics study. J. Comput. Chem. 31(11): 2175-2185 (2010)
2000 – 2009
- 2009
- [j5]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): 2602-2608 (2009) - 2004
- [j4]Mitsunori Ikeguchi:
Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes. J. Comput. Chem. 25(4): 529-541 (2004) - 2002
- [j3]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): 463-469 (2002)
1990 – 1999
- 1999
- [j2]Hiroshi Yoshikawa, Mitsunori Ikeguchi, Shugo Nakamura, Kentaro Shimizu, Junta Doi:
Prediction of protein structure classes and secondary structures by means of hidden Markov models. Syst. Comput. Jpn. 30(13): 13-22 (1999) - 1998
- [j1]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): 1716-1723 (1998)
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