Mitsunori Ikeguchi

According to our database, Mitsunori Ikeguchi authored at least 16 papers between 1998 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model.

Masao Inoue, Toru Ekimoto, Tsutomu Yamane, Mitsunori Ikeguchi

J. Chem. Inf. Model., 2024

2023

Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.

Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi

J. Chem. Inf. Model., December, 2023

Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease.

Kei Moritsugu, Toru Ekimoto, Mitsunori Ikeguchi, Akinori Kidera

J. Chem. Inf. Model., 2023

2022

gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins.

Kosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome

J. Chem. Inf. Model., 2022

2021

Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.

Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi

J. Chem. Inf. Model., 2021

Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations.

Toru Ekimoto, Takafumi Kudo, Tsutomu Yamane, Mitsunori Ikeguchi

J. Chem. Inf. Model., 2021

2020

High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.

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

J. Chem. Inf. Model., 2020

Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.

Takashi Yoshidome, Mitsunori Ikeguchi, Masateru Ohta

J. Comput. Chem., 2020

2019

How Does the Recently Discovered Peptide MIP Exhibit Much Higher Binding Affinity than an Anticancer Protein p53 for an Oncoprotein MDM2?

Tatsuya Yamada, Tomohiko Hayashi, Simon Hikiri, Naohiro Kobayashi, Hiroshi Yanagawa, Mitsunori Ikeguchi, Masato Katahira, Takashi Nagata, Masahiro Kinoshita

J. Chem. Inf. Model., 2019

Force-field parametrization based on radial and energy distribution functions.

Shuntaro Chiba, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi

J. Comput. Chem., 2019

2010

Structural fluctuation and concerted motions in F₁-ATPase: A molecular dynamics study.

Yuko Ito, Mitsunori Ikeguchi

J. Comput. Chem., 2010

2009

Linear response theory in dihedral angle space for protein structural change upon ligand binding.

Satoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi, Akinori Kidera

J. Comput. Chem., 2009

2004

Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes.

Mitsunori Ikeguchi

J. Comput. Chem., 2004

2002

New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates.

Shugo Nakamura, Daisuke Kyono, Mitsunori Ikeguchi, Kentaro Shimizu

J. Comput. Chem., 2002

1999

Prediction of protein structure classes and secondary structures by means of hidden Markov models.

Hiroshi Yoshikawa, Mitsunori Ikeguchi, Shugo Nakamura, Kentaro Shimizu, Junta Doi

Syst. Comput. Jpn., 1999

1998

Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates.

Shugo Nakamura, Mitsunori Ikeguchi, Kentaro Shimizu

J. Comput. Chem., 1998