Mitsunori Ikeguchi

Orcid: 0000-0003-3199-6931

According to our database1, Mitsunori Ikeguchi authored at least 16 papers between 1998 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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Bibliography

2024
Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model.
J. Chem. Inf. Model., 2024

2023
Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations.
J. Chem. Inf. Model., December, 2023

Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease.
J. Chem. Inf. Model., 2023

2022
gr Predictor: A Deep Learning Model for Predicting the Hydration Structures around Proteins.
J. Chem. Inf. Model., 2022

2021
Effect of Water Molecules on the Activating S810L Mutation of the Mineralocorticoid Receptor.
J. Chem. Inf. Model., 2021

Mechanism of Vitamin D Receptor Ligand-Binding Domain Regulation Studied by gREST Simulations.
J. Chem. Inf. Model., 2021

2020
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.
J. Chem. Inf. Model., 2020

Comprehensive 3D-RISM analysis of the hydration of small molecule binding sites in ligand-free protein structures.
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?
J. Chem. Inf. Model., 2019

Force-field parametrization based on radial and energy distribution functions.
J. Comput. Chem., 2019

2010
Structural fluctuation and concerted motions in F<sub>1</sub>-ATPase: A molecular dynamics study.
J. Comput. Chem., 2010

2009
Linear response theory in dihedral angle space for protein structural change upon ligand binding.
J. Comput. Chem., 2009

2004
Partial rigid-body dynamics in NPT, NPAT and NPT ensembles for proteins and membranes.
J. Comput. Chem., 2004

2002
New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates.
J. Comput. Chem., 2002

1999
Prediction of protein structure classes and secondary structures by means of hidden Markov models.
Syst. Comput. Jpn., 1999

1998
Parallel algorithm for efficient calculation of second derivatives of conformational energy function in internal coordinates.
J. Comput. Chem., 1998


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