Mitsunori Ikeguchi

18 papers Journal 18

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	In silico-driven protocol for hit-to-lead optimization: a case study on PDE9A inhibitors. J. Comput. Aided Mol. Des. Hiroyuki Ogawa, Masateru Ohta, Mitsunori Ikeguchi
2025	J	`jnl`	Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms. J. Chem. Inf. Model. Tomohide Masuda, Chiduru Watanabe, Koichiro Kato, Teruki Honma, Masateru Ohta, Mitsunori Ikeguchi
2024	J	`jnl`	Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model. J. Chem. Inf. Model. Masao Inoue, Toru Ekimoto, Tsutomu Yamane, Mitsunori Ikeguchi
2023	J	`jnl`	Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease. J. Chem. Inf. Model. Kei Moritsugu, Toru Ekimoto, Mitsunori Ikeguchi, Akinori Kidera
2023	J	`jnl`	Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations. J. Chem. Inf. Model. Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi
2022	J	`jnl`	gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins. J. Chem. Inf. Model. Kosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome
2021	J	`jnl`	Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor. J. Chem. Inf. Model. Kei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi
2021	J	`jnl`	Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations. J. Chem. Inf. Model. Toru Ekimoto, Takafumi Kudo, Tsutomu Yamane, Mitsunori Ikeguchi
2020	J	`jnl`	Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures. J. Comput. Chem. Takashi Yoshidome, Mitsunori Ikeguchi, Masateru Ohta
2020	J	`jnl`	High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning. J. Chem. Inf. Model. 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
2019	J	`jnl`	Force-field parametrization based on radial and energy distribution functions. J. Comput. Chem. Shuntaro Chiba, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi
2019	J	`jnl`	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. Tatsuya Yamada, Tomohiko Hayashi, Simon Hikiri, Naohiro Kobayashi, Hiroshi Yanagawa, Mitsunori Ikeguchi, Masato Katahira, Takashi Nagata, Masahiro Kinoshita
2010	J	`jnl`	Structural fluctuation and concerted motions in F J. Comput. Chem. Yuko Ito, Mitsunori Ikeguchi
2009	J	`jnl`	Linear response theory in dihedral angle space for protein structural change upon ligand binding. J. Comput. Chem. Satoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi, Akinori Kidera
2004	J	`jnl`	Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes. J. Comput. Chem. Mitsunori Ikeguchi
2002	J	`jnl`	New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates. J. Comput. Chem. Shugo Nakamura, Daisuke Kyono, Mitsunori Ikeguchi, Kentaro Shimizu
1999	J	`jnl`	Prediction of protein structure classes and secondary structures by means of hidden Markov models. Syst. Comput. Jpn. Hiroshi Yoshikawa, Mitsunori Ikeguchi, Shugo Nakamura, Kentaro Shimizu, Junta Doi
1998	J	`jnl`	Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates. J. Comput. Chem. Shugo Nakamura, Mitsunori Ikeguchi, Kentaro Shimizu