Teruki Honma
Orcid: 0000-0003-3761-9504
According to our database1,
Teruki Honma
authored at least 16 papers
between 2008 and 2024.
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Bibliography
2024
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites.
J. Chem. Inf. Model., 2024
FMOe: Preprocessing and Visualizing Package of the Fragment Molecular Orbital Method for Molecular Operating Environment and Its Applications in Covalent Ligand and Metalloprotein Analyses.
J. Chem. Inf. Model., 2024
2023
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data.
J. Cheminformatics, December, 2023
2022
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search.
J. Chem. Inf. Model., 2022
Protein-ligand binding affinity prediction of cyclin-dependent kinase-2 inhibitors by dynamically averaged fragment molecular orbital-based interaction energy.
J. Comput. Chem., 2022
2021
FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
J. Chem. Inf. Model., 2021
Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins.
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
J. Cheminformatics, 2020
2019
J. Comput. Chem., 2019
2017
Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach.
J. Chem. Inf. Model., December, 2017
Bioisostere Identification by Determining the Amino Acid Binding Preferences of Common Chemical Fragments.
J. Chem. Inf. Model., December, 2017
2013
Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning.
J. Chem. Inf. Model., 2013
2012
Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors.
J. Chem. Inf. Model., 2012
2010
Combining Machine Learning and Pharmacophore-Based Interaction Fingerprint for in Silico Screening.
J. Chem. Inf. Model., 2010
2008
Prediction of Human Liver Microsomal Stability with Machine Learning.
Proceedings of the 2008 International Conference on Artificial Intelligence, 2008