Mitsunori Ikeguchi - researchr alias

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Viewing Publication 1 - 15 from 15

2023

Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL ProteaseKei Moritsugu, Toru Ekimoto, Mitsunori Ikeguchi, Akinori Kidera. jcisd, 63(1):240-250, 2023. [doi]

Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics SimulationsNaoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi. jcisd, 63(24):7860-7872, December 2023. [doi]

2022

gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around ProteinsKosuke Kawama, Yusaku Fukushima, Mitsunori Ikeguchi, Masateru Ohta, Takashi Yoshidome. jcisd, 62(18):4460-4473, 2022. [doi]

2021

Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST SimulationsToru Ekimoto, Takafumi Kudo, Tsutomu Yamane, Mitsunori Ikeguchi. jcisd, 61(7):3625-3637, 2021. [doi]

Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid ReceptorKei Takedomi, Masateru Ohta, Toru Ekimoto, Mitsunori Ikeguchi. jcisd, 61(7):3583-3592, 2021. [doi]

2020

2019

Force-field parametrization based on radial and energy distribution functionsShuntaro Chiba, Yasushi Okuno, Teruki Honma, Mitsunori Ikeguchi. jcc, 40(29):2577-2585, 2019. [doi]

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. jcisd, 59(8):3533-3544, 2019. [doi]

2010

Structural fluctuation and concerted motions in F::1::-ATPase: A molecular dynamics studyYuko Ito, Mitsunori Ikeguchi. jcc, 31(11):2175-2185, 2010. [doi]

2009

Linear response theory in dihedral angle space for protein structural change upon ligand bindingSatoshi Omori, Sotaro Fuchigami, Mitsunori Ikeguchi, Akinori Kidera. jcc, 30(16):2602-2608, 2009. [doi]

2004

Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranesMitsunori Ikeguchi. jcc, 25(4):529-541, 2004. [doi]

2002

New method for parallel computation of Hessian matrix of conformational energy function in internal coordinatesShugo Nakamura, Daisuke Kyono, Mitsunori Ikeguchi, Kentaro Shimizu. jcc, 23(4):463-469, 2002. [doi]

1999

Prediction of protein structure classes and secondary structures by means of hidden Markov modelsHiroshi Yoshikawa, Mitsunori Ikeguchi, Shugo Nakamura, Kentaro Shimizu, Junta Doi. scjapan, 30(13):13-22, 1999. [doi]

1998

Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinatesShugo Nakamura, Mitsunori Ikeguchi, Kentaro Shimizu. jcc, 19(15):1716-1723, 1998. [doi]

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